NP-MRD: Showing NP-Card for 8beta-hydroxy-3-O-beta-D-glucopyranosyl-ent-labda-13-en-15,16-diol (NP0041680)

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Record Information

Version

2.0

Created at

2021-06-20 23:32:23 UTC

Updated at

2021-06-30 00:16:20 UTC

NP-MRD ID

NP0041680

Secondary Accession Numbers

None

Natural Product Identification

Common Name

8beta-hydroxy-3-O-beta-D-glucopyranosyl-ent-labda-13-en-15,16-diol

Provided By

JEOL Database JEOL Logo

Description

8beta-hydroxy-3-O-beta-D-glucopyranosyl-ent-labda-13-en-15,16-diol is found in Dodonaea viscosa Jacquin. 8beta-hydroxy-3-O-beta-D-glucopyranosyl-ent-labda-13-en-15,16-diol was first documented in 2012 (Oliveira, S. Q.d., et al.).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306212101323D          

 81 83  0  0  0  0            999 V2000
    3.2361   -1.6812    2.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4659   -2.4560    1.3186 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2249   -3.7838    1.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0086   -2.7113    1.8345 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4919   -1.4485    2.2858 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1445   -1.2691    2.3624 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.2365    0.8876   -0.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7800   -0.0869   -1.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

 81 83  0  0  0  0  0  0  0  0999 V2000
    3.2361   -1.6812    2.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4659   -2.4560    1.3186 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -0.8113   -1.4615    2.8729 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8062   -1.3587    1.8609 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7805    1.5126   -2.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7800   -0.0869   -1.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106   -1.9239   -3.9909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6769   -1.6869   -2.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0860   -0.4197   -4.8183 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4570    0.3738   -4.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1895    2.5701   -4.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6880    4.2312   -3.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8110    3.3623   -1.9874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5509    4.5236   -3.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9792    1.4682   -2.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6305   -0.2303   -2.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4770    0.2434   -0.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
 27 28  1  0
 29 28  1  0
 24 25  1  0
 11 12  1  0
 19 20  1  6
 13 14  1  0
 21 61  1  1
 21 19  1  0
 15 16  1  0
  9 10  1  0
  6 15  1  0
 15 13  1  0
 21  2  1  0
 19 18  1  0
 18 17  1  0
 17  4  1  0
  4  2  1  0
  4  5  1  0
 19 27  1  0
  2  1  1  1
 21 22  1  0
  2  3  1  0
 22 23  1  0
 24 26  1  6
 23 24  1  0
 29 30  1  0
 30 34  1  0
 27 24  1  0
 13 11  1  0
 11  8  1  0
  8  7  1  0
 33 32  1  0
 32 31  1  0
 31 30  2  0
  7  6  1  0
 34 35  1  0
  8  9  1  0
  6  5  1  0
  6 43  1  1
 11 48  1  6
 12 49  1  0
 13 50  1  1
 14 51  1  0
 15 52  1  6
 16 53  1  0
  9 45  1  0
  9 46  1  0
  8 44  1  1
 10 47  1  0
 22 62  1  0
 22 63  1  0
 23 64  1  0
 23 65  1  0
 27 70  1  1
 29 73  1  0
 29 74  1  0
 28 71  1  0
 28 72  1  0
 25 66  1  0
 25 67  1  0
 25 68  1  0
 20 58  1  0
 20 59  1  0
 20 60  1  0
 18 56  1  0
 18 57  1  0
 17 54  1  0
 17 55  1  0
  4 42  1  1
  1 36  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  3 40  1  0
  3 41  1  0
 26 69  1  0
 34 79  1  0
 34 80  1  0
 33 78  1  0
 32 76  1  0
 32 77  1  0
 31 75  1  0
 35 81  1  0
M  END


  Mrv1652306212101323D          

 81 83  0  0  0  0            999 V2000
    3.2361   -1.6812    2.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4659   -2.4560    1.3186 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2249   -3.7838    1.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0086   -2.7113    1.8345 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4919   -1.4485    2.2858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8113   -1.4615    2.8729 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8062   -1.3587    1.8609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1445   -1.2691    2.3624 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1065   -1.2524    1.1617 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9642   -0.0742    0.3600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2998   -0.0317    3.2543 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6142    0.0380    3.8110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2688   -0.0876    4.3823 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3707    1.1107    5.1678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8662   -0.2334    3.8016 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0754   -0.3494    4.8812 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1415   -3.3425    0.7440 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0622   -2.4714   -0.5103 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4392   -2.0991   -1.1367 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9683   -3.3637   -1.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3893   -1.5784    0.0116 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7537   -1.1445   -0.5560 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5762    0.0036   -1.5426 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5882   -0.2737   -2.6897 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2761   -1.0664   -3.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3248    1.0154   -3.2733 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2408   -0.8862   -2.1667 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1966   -1.1954   -3.2860 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3444   -0.0158   -4.1148 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0248    1.1036   -3.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6201    2.3809   -3.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1464    3.5958   -2.8220 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0503    4.3375   -2.3030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1858    0.7143   -2.4659 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7201    0.5741   -1.1382 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1056   -2.1643    3.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8889   -0.6464    2.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3131   -1.6522    2.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3385   -4.2993    2.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2322   -3.6169    0.7357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7223   -4.4860    0.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0458   -3.3840    2.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9422   -2.3847    3.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3617   -2.1793    2.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1502   -1.3267    1.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8902   -2.1024    0.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4530    0.6320    0.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1424    0.8889    2.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5527    0.7148    4.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4933   -0.9116    5.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5594    1.1248    5.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5956    0.6777    3.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9396   -0.4903    4.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8755   -3.5121    1.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5163   -4.3394    0.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4765   -1.5518   -0.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5590   -3.0079   -1.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5371   -3.4780   -2.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7032   -4.2853   -1.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0526   -3.3778   -1.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9232   -0.6399    0.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4094   -0.7812    0.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2864   -1.9745   -1.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5549    0.2941   -1.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2365    0.8876   -0.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1431   -0.5120   -4.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6358   -2.0438   -3.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6182   -1.1990   -4.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7805    1.5126   -2.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7800   -0.0869   -1.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106   -1.9239   -3.9909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6769   -1.6869   -2.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0860   -0.4197   -4.8183 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4570    0.3738   -4.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1895    2.5701   -4.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6880    4.2312   -3.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8110    3.3623   -1.9874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5509    4.5236   -3.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9792    1.4682   -2.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6305   -0.2303   -2.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4770    0.2434   -0.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
 27 28  1  0  0  0  0
 29 28  1  0  0  0  0
 24 25  1  0  0  0  0
 11 12  1  0  0  0  0
 19 20  1  6  0  0  0
 13 14  1  0  0  0  0
 21 61  1  1  0  0  0
 21 19  1  0  0  0  0
 15 16  1  0  0  0  0
  9 10  1  0  0  0  0
  6 15  1  0  0  0  0
 15 13  1  0  0  0  0
 21  2  1  0  0  0  0
 19 18  1  0  0  0  0
 18 17  1  0  0  0  0
 17  4  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
 19 27  1  0  0  0  0
  2  1  1  1  0  0  0
 21 22  1  0  0  0  0
  2  3  1  0  0  0  0
 22 23  1  0  0  0  0
 24 26  1  6  0  0  0
 23 24  1  0  0  0  0
 29 30  1  0  0  0  0
 30 34  1  0  0  0  0
 27 24  1  0  0  0  0
 13 11  1  0  0  0  0
 11  8  1  0  0  0  0
  8  7  1  0  0  0  0
 33 32  1  0  0  0  0
 32 31  1  0  0  0  0
 31 30  2  0  0  0  0
  7  6  1  0  0  0  0
 34 35  1  0  0  0  0
  8  9  1  0  0  0  0
  6  5  1  0  0  0  0
  6 43  1  1  0  0  0
 11 48  1  6  0  0  0
 12 49  1  0  0  0  0
 13 50  1  1  0  0  0
 14 51  1  0  0  0  0
 15 52  1  6  0  0  0
 16 53  1  0  0  0  0
  9 45  1  0  0  0  0
  9 46  1  0  0  0  0
  8 44  1  1  0  0  0
 10 47  1  0  0  0  0
 22 62  1  0  0  0  0
 22 63  1  0  0  0  0
 23 64  1  0  0  0  0
 23 65  1  0  0  0  0
 27 70  1  1  0  0  0
 29 73  1  0  0  0  0
 29 74  1  0  0  0  0
 28 71  1  0  0  0  0
 28 72  1  0  0  0  0
 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
 25 68  1  0  0  0  0
 20 58  1  0  0  0  0
 20 59  1  0  0  0  0
 20 60  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 17 54  1  0  0  0  0
 17 55  1  0  0  0  0
  4 42  1  1  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
  3 41  1  0  0  0  0
 26 69  1  0  0  0  0
 34 79  1  0  0  0  0
 34 80  1  0  0  0  0
 33 78  1  0  0  0  0
 32 76  1  0  0  0  0
 32 77  1  0  0  0  0
 31 75  1  0  0  0  0
 35 81  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0041680

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC([H])([H])C(\[H])=C(/C([H])([H])O[H])C([H])([H])C([H])([H])[C@]1([H])[C@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]2([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C26H46O9/c1-24(2)17-7-11-26(4,33)18(6-5-15(13-28)9-12-27)25(17,3)10-8-19(24)35-23-22(32)21(31)20(30)16(14-29)34-23/h9,16-23,27-33H,5-8,10-14H2,1-4H3/b15-9-/t16-,17-,18+,19+,20-,21+,22-,23+,25-,26+/m1/s1

> <INCHI_KEY>
CYXKJSCQPMYPIV-WNTLAMROSA-N

> <FORMULA>
C26H46O9

> <MOLECULAR_WEIGHT>
502.645

> <EXACT_MASS>
502.314183061

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
53.98995771466869

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4S,5S,6R)-2-{[(2S,4aR,5S,6S,8aS)-6-hydroxy-5-[(3Z)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1,1,4a,6-tetramethyl-decahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
0.19

> <JCHEM_LOGP>
-0.09066883700000147

> <ALOGPS_LOGS>
-2.94

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.194264327481715

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.209879732672736

> <JCHEM_PKA_STRONGEST_BASIC>
-0.4353980925628774

> <JCHEM_POLAR_SURFACE_AREA>
160.07

> <JCHEM_REFRACTIVITY>
129.6619

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.81e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4S,5S,6R)-2-{[(2S,4aR,5S,6S,8aS)-6-hydroxy-5-[(3Z)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1,1,4a,6-tetramethyl-hexahydro-2H-naphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 81 83  0  0  0  0  0  0  0  0999 V2000
    3.2361   -1.6812    2.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4659   -2.4560    1.3186 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2249   -3.7838    1.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0086   -2.7113    1.8345 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4919   -1.4485    2.2858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8113   -1.4615    2.8729 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8062   -1.3587    1.8609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1445   -1.2691    2.3624 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1065   -1.2524    1.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9642   -0.0742    0.3600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2998   -0.0317    3.2543 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6142    0.0380    3.8110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2688   -0.0876    4.3823 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3707    1.1107    5.1678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8662   -0.2334    3.8016 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0754   -0.3494    4.8812 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1415   -3.3425    0.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0622   -2.4714   -0.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4392   -2.0991   -1.1367 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9683   -3.3637   -1.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2408   -0.8862   -2.1667 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -0.3444   -0.0158   -4.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0248    1.1036   -3.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6201    2.3809   -3.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1464    3.5958   -2.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0503    4.3375   -2.3030 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7201    0.5741   -1.1382 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0458   -3.3840    2.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9422   -2.3847    3.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3617   -2.1793    2.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1502   -1.3267    1.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8902   -2.1024    0.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4530    0.6320    0.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1424    0.8889    2.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5527    0.7148    4.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4933   -0.9116    5.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5594    1.1248    5.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5956    0.6777    3.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9396   -0.4903    4.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8755   -3.5121    1.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5163   -4.3394    0.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4765   -1.5518   -0.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5590   -3.0079   -1.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5371   -3.4780   -2.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7032   -4.2853   -1.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0526   -3.3778   -1.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9232   -0.6399    0.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4094   -0.7812    0.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2864   -1.9745   -1.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5549    0.2941   -1.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2365    0.8876   -0.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1431   -0.5120   -4.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6358   -2.0438   -3.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6182   -1.1990   -4.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7805    1.5126   -2.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7800   -0.0869   -1.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106   -1.9239   -3.9909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6769   -1.6869   -2.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0860   -0.4197   -4.8183 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4570    0.3738   -4.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1895    2.5701   -4.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6880    4.2312   -3.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8110    3.3623   -1.9874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5509    4.5236   -3.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9792    1.4682   -2.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6305   -0.2303   -2.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4770    0.2434   -0.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
 27 28  1  0
 29 28  1  0
 24 25  1  0
 11 12  1  0
 19 20  1  6
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 21 61  1  1
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 15 16  1  0
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 21  2  1  0
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 27 24  1  0
 13 11  1  0
 11  8  1  0
  8  7  1  0
 33 32  1  0
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 31 30  2  0
  7  6  1  0
 34 35  1  0
  8  9  1  0
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  4 42  1  1
  1 36  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  3 40  1  0
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 26 69  1  0
 34 79  1  0
 34 80  1  0
 33 78  1  0
 32 76  1  0
 32 77  1  0
 31 75  1  0
 35 81  1  0
M  END

HEADER    PROTEIN                                 21-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   21-JUN-21         0                                  
HETATM    1  C   UNK     0       3.236  -1.681   2.427  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.466  -2.456   1.319  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.225  -3.784   1.131  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.009  -2.711   1.835  0.00  0.00           C+0
HETATM    5  O   UNK     0       0.492  -1.448   2.286  0.00  0.00           O+0
HETATM    6  C   UNK     0      -0.811  -1.462   2.873  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.806  -1.359   1.861  0.00  0.00           O+0
HETATM    8  C   UNK     0      -3.144  -1.269   2.362  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.106  -1.252   1.162  0.00  0.00           C+0
HETATM   10  O   UNK     0      -3.964  -0.074   0.360  0.00  0.00           O+0
HETATM   11  C   UNK     0      -3.300  -0.032   3.254  0.00  0.00           C+0
HETATM   12  O   UNK     0      -4.614   0.038   3.811  0.00  0.00           O+0
HETATM   13  C   UNK     0      -2.269  -0.088   4.382  0.00  0.00           C+0
HETATM   14  O   UNK     0      -2.371   1.111   5.168  0.00  0.00           O+0
HETATM   15  C   UNK     0      -0.866  -0.233   3.802  0.00  0.00           C+0
HETATM   16  O   UNK     0       0.075  -0.349   4.881  0.00  0.00           O+0
HETATM   17  C   UNK     0       0.142  -3.342   0.744  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.062  -2.471  -0.510  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.439  -2.099  -1.137  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.968  -3.364  -1.856  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.389  -1.578   0.012  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.754  -1.145  -0.556  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.576   0.004  -1.543  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.588  -0.274  -2.690  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.276  -1.066  -3.806  0.00  0.00           C+0
HETATM   26  O   UNK     0       2.325   1.015  -3.273  0.00  0.00           O+0
HETATM   27  C   UNK     0       1.241  -0.886  -2.167  0.00  0.00           C+0
HETATM   28  C   UNK     0       0.197  -1.195  -3.286  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.344  -0.016  -4.115  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.025   1.104  -3.345  0.00  0.00           C+0
HETATM   31  C   UNK     0      -0.620   2.381  -3.517  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.146   3.596  -2.822  0.00  0.00           C+0
HETATM   33  O   UNK     0      -0.050   4.338  -2.303  0.00  0.00           O+0
HETATM   34  C   UNK     0      -2.186   0.714  -2.466  0.00  0.00           C+0
HETATM   35  O   UNK     0      -1.720   0.574  -1.138  0.00  0.00           O+0
HETATM   36  H   UNK     0       3.106  -2.164   3.402  0.00  0.00           H+0
HETATM   37  H   UNK     0       2.889  -0.646   2.520  0.00  0.00           H+0
HETATM   38  H   UNK     0       4.313  -1.652   2.231  0.00  0.00           H+0
HETATM   39  H   UNK     0       3.338  -4.299   2.093  0.00  0.00           H+0
HETATM   40  H   UNK     0       4.232  -3.617   0.736  0.00  0.00           H+0
HETATM   41  H   UNK     0       2.722  -4.486   0.469  0.00  0.00           H+0
HETATM   42  H   UNK     0       1.046  -3.384   2.701  0.00  0.00           H+0
HETATM   43  H   UNK     0      -0.942  -2.385   3.452  0.00  0.00           H+0
HETATM   44  H   UNK     0      -3.362  -2.179   2.937  0.00  0.00           H+0
HETATM   45  H   UNK     0      -5.150  -1.327   1.484  0.00  0.00           H+0
HETATM   46  H   UNK     0      -3.890  -2.102   0.506  0.00  0.00           H+0
HETATM   47  H   UNK     0      -4.453   0.632   0.824  0.00  0.00           H+0
HETATM   48  H   UNK     0      -3.142   0.889   2.679  0.00  0.00           H+0
HETATM   49  H   UNK     0      -4.553   0.715   4.518  0.00  0.00           H+0
HETATM   50  H   UNK     0      -2.493  -0.912   5.071  0.00  0.00           H+0
HETATM   51  H   UNK     0      -1.559   1.125   5.716  0.00  0.00           H+0
HETATM   52  H   UNK     0      -0.596   0.678   3.253  0.00  0.00           H+0
HETATM   53  H   UNK     0       0.940  -0.490   4.444  0.00  0.00           H+0
HETATM   54  H   UNK     0      -0.876  -3.512   1.113  0.00  0.00           H+0
HETATM   55  H   UNK     0       0.516  -4.339   0.494  0.00  0.00           H+0
HETATM   56  H   UNK     0      -0.477  -1.552  -0.265  0.00  0.00           H+0
HETATM   57  H   UNK     0      -0.559  -3.008  -1.237  0.00  0.00           H+0
HETATM   58  H   UNK     0       1.537  -3.478  -2.854  0.00  0.00           H+0
HETATM   59  H   UNK     0       1.703  -4.285  -1.334  0.00  0.00           H+0
HETATM   60  H   UNK     0       3.053  -3.378  -1.966  0.00  0.00           H+0
HETATM   61  H   UNK     0       1.923  -0.640   0.355  0.00  0.00           H+0
HETATM   62  H   UNK     0       4.409  -0.781   0.241  0.00  0.00           H+0
HETATM   63  H   UNK     0       4.286  -1.974  -1.027  0.00  0.00           H+0
HETATM   64  H   UNK     0       4.555   0.294  -1.947  0.00  0.00           H+0
HETATM   65  H   UNK     0       3.236   0.888  -0.984  0.00  0.00           H+0
HETATM   66  H   UNK     0       4.143  -0.512  -4.188  0.00  0.00           H+0
HETATM   67  H   UNK     0       3.636  -2.044  -3.488  0.00  0.00           H+0
HETATM   68  H   UNK     0       2.618  -1.199  -4.671  0.00  0.00           H+0
HETATM   69  H   UNK     0       1.781   1.513  -2.633  0.00  0.00           H+0
HETATM   70  H   UNK     0       0.780  -0.087  -1.569  0.00  0.00           H+0
HETATM   71  H   UNK     0       0.611  -1.924  -3.991  0.00  0.00           H+0
HETATM   72  H   UNK     0      -0.677  -1.687  -2.849  0.00  0.00           H+0
HETATM   73  H   UNK     0      -1.086  -0.420  -4.818  0.00  0.00           H+0
HETATM   74  H   UNK     0       0.457   0.374  -4.753  0.00  0.00           H+0
HETATM   75  H   UNK     0       0.190   2.570  -4.220  0.00  0.00           H+0
HETATM   76  H   UNK     0      -1.688   4.231  -3.529  0.00  0.00           H+0
HETATM   77  H   UNK     0      -1.811   3.362  -1.987  0.00  0.00           H+0
HETATM   78  H   UNK     0       0.551   4.524  -3.043  0.00  0.00           H+0
HETATM   79  H   UNK     0      -2.979   1.468  -2.487  0.00  0.00           H+0
HETATM   80  H   UNK     0      -2.631  -0.230  -2.796  0.00  0.00           H+0
HETATM   81  H   UNK     0      -2.477   0.243  -0.608  0.00  0.00           H+0
CONECT    1    2   36   37   38                                             
CONECT    2   21    4    1    3                                             
CONECT    3    2   39   40   41                                             
CONECT    4   17    2    5   42                                             
CONECT    5    4    6                                                       
CONECT    6   15    7    5   43                                             
CONECT    7    8    6                                                       
CONECT    8   11    7    9   44                                             
CONECT    9   10    8   45   46                                             
CONECT   10    9   47                                                       
CONECT   11   12   13    8   48                                             
CONECT   12   11   49                                                       
CONECT   13   14   15   11   50                                             
CONECT   14   13   51                                                       
CONECT   15   16    6   13   52                                             
CONECT   16   15   53                                                       
CONECT   17   18    4   54   55                                             
CONECT   18   19   17   56   57                                             
CONECT   19   20   21   18   27                                             
CONECT   20   19   58   59   60                                             
CONECT   21   61   19    2   22                                             
CONECT   22   21   23   62   63                                             
CONECT   23   22   24   64   65                                             
CONECT   24   25   26   23   27                                             
CONECT   25   24   66   67   68                                             
CONECT   26   24   69                                                       
CONECT   27   28   19   24   70                                             
CONECT   28   27   29   71   72                                             
CONECT   29   28   30   73   74                                             
CONECT   30   29   34   31                                                  
CONECT   31   32   30   75                                                  
CONECT   32   33   31   76   77                                             
CONECT   33   32   78                                                       
CONECT   34   30   35   79   80                                             
CONECT   35   34   81                                                       
CONECT   36    1                                                            
CONECT   37    1                                                            
CONECT   38    1                                                            
CONECT   39    3                                                            
CONECT   40    3                                                            
CONECT   41    3                                                            
CONECT   42    4                                                            
CONECT   43    6                                                            
CONECT   44    8                                                            
CONECT   45    9                                                            
CONECT   46    9                                                            
CONECT   47   10                                                            
CONECT   48   11                                                            
CONECT   49   12                                                            
CONECT   50   13                                                            
CONECT   51   14                                                            
CONECT   52   15                                                            
CONECT   53   16                                                            
CONECT   54   17                                                            
CONECT   55   17                                                            
CONECT   56   18                                                            
CONECT   57   18                                                            
CONECT   58   20                                                            
CONECT   59   20                                                            
CONECT   60   20                                                            
CONECT   61   21                                                            
CONECT   62   22                                                            
CONECT   63   22                                                            
CONECT   64   23                                                            
CONECT   65   23                                                            
CONECT   66   25                                                            
CONECT   67   25                                                            
CONECT   68   25                                                            
CONECT   69   26                                                            
CONECT   70   27                                                            
CONECT   71   28                                                            
CONECT   72   28                                                            
CONECT   73   29                                                            
CONECT   74   29                                                            
CONECT   75   31                                                            
CONECT   76   32                                                            
CONECT   77   32                                                            
CONECT   78   33                                                            
CONECT   79   34                                                            
CONECT   80   34                                                            
CONECT   81   35                                                            
MASTER        0    0    0    0    0    0    0    0   81    0  166    0
END

RDKit          3D

81 83  0  0  0  0  0  0  0  0999 V2000
    3.2361   -1.6812    2.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4659   -2.4560    1.3186 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2249   -3.7838    1.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0086   -2.7113    1.8345 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4919   -1.4485    2.2858 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₄₆O₉

Average Mass

502.6450 Da

Monoisotopic Mass

502.31418 Da

IUPAC Name

(2R,3R,4S,5S,6R)-2-{[(2S,4aR,5S,6S,8aS)-6-hydroxy-5-[(3Z)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1,1,4a,6-tetramethyl-decahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

(2R,3R,4S,5S,6R)-2-{[(2S,4aR,5S,6S,8aS)-6-hydroxy-5-[(3Z)-5-hydroxy-3-(hydroxymethyl)pent-3-en-1-yl]-1,1,4a,6-tetramethyl-hexahydro-2H-naphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

[H]OC([H])([H])C(\[H])=C(/C([H])([H])O[H])C([H])([H])C([H])([H])[C@]1([H])[C@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]2([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H]

InChI Identifier

InChI=1S/C26H46O9/c1-24(2)17-7-11-26(4,33)18(6-5-15(13-28)9-12-27)25(17,3)10-8-19(24)35-23-22(32)21(31)20(30)16(14-29)34-23/h9,16-23,27-33H,5-8,10-14H2,1-4H3/b15-9-/t16-,17-,18+,19+,20-,21+,22-,23+,25-,26+/m1/s1

InChI Key

CYXKJSCQPMYPIV-WNTLAMROSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Dodonaea viscosa Jacquin	JEOL database	Oliveira, S. Q.d., et al, Phytochem. Lett. 5, 500 (2012)

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	0.19	ALOGPS
logP	-0.091	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	12.21	ChemAxon
pKa (Strongest Basic)	-0.44	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	160.07 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	129.66 m³·mol⁻¹	ChemAxon
Polarizability	53.99 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

Not Available

References

General References

Oliveira, S. Q.d., et al. (2012). Oliveira, S. Q.d., et al, Phytochem. Lett. 5, 500 (2012). Phytochem..

Showing NP-Card for 8beta-hydroxy-3-O-beta-D-glucopyranosyl-ent-labda-13-en-15,16-diol (NP0041680)

MOL for NP0041680 (8beta-hydroxy-3-O-beta-D-glucopyranosyl-ent-labda-13-en-15,16-diol)

3D MOL for NP0041680 (8beta-hydroxy-3-O-beta-D-glucopyranosyl-ent-labda-13-en-15,16-diol)

3D SDF for NP0041680 (8beta-hydroxy-3-O-beta-D-glucopyranosyl-ent-labda-13-en-15,16-diol)

3D-SDF for NP0041680 (8beta-hydroxy-3-O-beta-D-glucopyranosyl-ent-labda-13-en-15,16-diol)

PDB for NP0041680 (8beta-hydroxy-3-O-beta-D-glucopyranosyl-ent-labda-13-en-15,16-diol)

3D PDB for NP0041680 (8beta-hydroxy-3-O-beta-D-glucopyranosyl-ent-labda-13-en-15,16-diol)

SMILES for NP0041680 (8beta-hydroxy-3-O-beta-D-glucopyranosyl-ent-labda-13-en-15,16-diol)

INCHI for NP0041680 (8beta-hydroxy-3-O-beta-D-glucopyranosyl-ent-labda-13-en-15,16-diol)

Structure for NP0041680 (8beta-hydroxy-3-O-beta-D-glucopyranosyl-ent-labda-13-en-15,16-diol)

3D Structure for NP0041680 (8beta-hydroxy-3-O-beta-D-glucopyranosyl-ent-labda-13-en-15,16-diol)