NP-MRD: Showing NP-Card for (5R,20R)-23-hydroxyl-8(14-13R)-abeo-17,13-friedo-3-oxolanosta-8,14(30), 2+ (NP0040836)

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Record Information

Version

2.0

Created at

2021-06-20 22:53:39 UTC

Updated at

2021-06-30 00:14:59 UTC

NP-MRD ID

NP0040836

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(5R,20R)-23-hydroxyl-8(14-13R)-abeo-17,13-friedo-3-oxolanosta-8,14(30), 2+

Provided By

JEOL Database JEOL Logo

Description

(5R,20R)-23-hydroxyl-8(14-13R)-abeo-17,13-friedo-3-oxolanosta-8,14(30), 2+ is found in Abies nephrolepis. (5R,20R)-23-hydroxyl-8(14-13R)-abeo-17,13-friedo-3-oxolanosta-8,14(30), 2+ was first documented in 2011 (Ou-Yang, D.-W., et al.).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306212100533D          

 76 80  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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   -1.2447   -1.3633    3.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3895    0.3053    2.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3330   -0.1192    3.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0
 31 32  1  0
 29 26  1  0
 26 25  1  0
 22 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 33 32  1  0
  5  6  1  6
 33 25  1  0
 26 27  1  6
  4  5  1  0
  5  7  1  0
  5 18  1  0
  7  9  1  0
 31 29  1  0
  9 10  1  0
 10 12  1  0
 18  2  1  6
 33 21  1  0
 25 24  1  0
 24 23  1  0
 12 13  2  0
 13 15  1  0
 15 17  1  0
 17 10  1  0
 23 22  1  0
 10 11  1  6
 15 16  2  0
 29 30  2  0
 13 14  1  0
  2  3  1  0
 26 28  1  0
 33 34  1  1
  2  1  2  3
 21 22  2  0
  7  8  1  0
  3 37  1  0
  3 38  1  0
  4 39  1  0
  4 40  1  0
 31 70  1  0
 31 71  1  0
 32 72  1  0
 32 73  1  0
 25 63  1  6
 24 61  1  0
 24 62  1  0
 23 59  1  0
 23 60  1  0
 34 74  1  0
 34 75  1  0
 34 76  1  0
 19 55  1  0
 19 56  1  0
 20 57  1  0
 20 58  1  0
  6 41  1  0
  6 42  1  0
  6 43  1  0
 27 64  1  0
 27 65  1  0
 27 66  1  0
  7 44  1  1
  9 48  1  0
  9 49  1  0
 12 51  1  0
 11 50  1  0
 14 52  1  0
 14 53  1  0
 14 54  1  0
 28 67  1  0
 28 68  1  0
 28 69  1  0
  1 35  1  0
  1 36  1  0
  8 45  1  0
  8 46  1  0
  8 47  1  0
M  END


  Mrv1652306212100533D          

 76 80  0  0  0  0            999 V2000
    1.3349   -3.0158   -2.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1589   -2.4928   -2.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4343   -2.7765   -3.7841 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7431   -1.9919   -3.7988 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5308   -0.7885   -2.8314 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6577    0.2543   -3.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9315   -0.1389   -2.4655 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6566    0.4374   -3.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8318    0.9373   -1.3466 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1605    1.3425   -0.6816 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9529    2.1092   -1.5624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9345    2.1212    0.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3722    1.4518    1.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    1.7969    3.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9326    0.1941    1.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4022   -0.6921    1.8038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8627    0.1868   -0.2437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7480   -1.5260   -1.6505 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6820   -2.3862   -0.7466 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0154   -2.4628    0.6238 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1797   -1.2161    0.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0038   -0.7306   -0.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9337    0.3866   -0.8755 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9262    0.6224    0.2642 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2331    0.6901    1.6532 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2341    1.1544    2.7886 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2123    2.2450    2.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5051    1.7800    3.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0481   -0.0431    3.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2589    0.0268    3.5104 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2920   -1.3067    3.6237 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4467   -1.7493    2.4447 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4627   -0.6716    1.9313 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6806   -0.4453    2.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7713   -2.8026   -1.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8929   -3.6793   -2.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6223   -3.8443   -3.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2346   -2.4197   -4.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9894   -1.6893   -4.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5621   -2.6328   -3.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5819    1.1965   -3.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3596   -0.1029   -3.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0816    0.4931   -4.5648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5828   -0.9457   -2.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6433   -0.2542   -4.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7129    0.6187   -3.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2141    1.3845   -4.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1921    0.5486   -0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3419    1.8337   -1.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6892    2.4677   -1.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4545    3.0885    0.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3624    1.8462    3.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7857    1.0464    3.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8696    2.7684    3.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757   -3.3911   -1.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6589   -1.9193   -0.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7807   -2.4989    1.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3836   -3.3530    0.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5126    0.1827   -1.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3603    1.3050   -1.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6923   -0.1629    0.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347    1.5613    0.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    1.4831    1.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6707    3.0838    1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8194    2.6496    3.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9294    1.8516    1.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0868    1.0423    4.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1959    2.3675    4.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7053    2.4552    3.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.1463    4.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0179   -2.0931    3.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1216   -2.0498    1.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9021   -2.6570    2.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2447   -1.3633    3.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3895    0.3053    2.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3330   -0.1192    3.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
 31 32  1  0  0  0  0
 29 26  1  0  0  0  0
 26 25  1  0  0  0  0
 22 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 33 32  1  0  0  0  0
  5  6  1  6  0  0  0
 33 25  1  0  0  0  0
 26 27  1  6  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  7  9  1  0  0  0  0
 31 29  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 18  2  1  6  0  0  0
 33 21  1  0  0  0  0
 25 24  1  0  0  0  0
 24 23  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 15 17  1  0  0  0  0
 17 10  1  0  0  0  0
 23 22  1  0  0  0  0
 10 11  1  6  0  0  0
 15 16  2  0  0  0  0
 29 30  2  0  0  0  0
 13 14  1  0  0  0  0
  2  3  1  0  0  0  0
 26 28  1  0  0  0  0
 33 34  1  1  0  0  0
  2  1  2  3  0  0  0
 21 22  2  0  0  0  0
  7  8  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
 31 70  1  0  0  0  0
 31 71  1  0  0  0  0
 32 72  1  0  0  0  0
 32 73  1  0  0  0  0
 25 63  1  6  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
 23 59  1  0  0  0  0
 23 60  1  0  0  0  0
 34 74  1  0  0  0  0
 34 75  1  0  0  0  0
 34 76  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  6 43  1  0  0  0  0
 27 64  1  0  0  0  0
 27 65  1  0  0  0  0
 27 66  1  0  0  0  0
  7 44  1  1  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 12 51  1  0  0  0  0
 11 50  1  0  0  0  0
 14 52  1  0  0  0  0
 14 53  1  0  0  0  0
 14 54  1  0  0  0  0
 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
 28 69  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  8 45  1  0  0  0  0
  8 46  1  0  0  0  0
  8 47  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0040836

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@@]1(OC(=O)C(=C1[H])C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])C(=C([H])[H])[C@@]11C2=C(C([H])([H])C1([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C2([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C30H42O4/c1-18-16-29(33,34-25(18)32)17-20(3)28(7)14-10-19(2)30(28)15-11-21-22(30)8-9-23-26(4,5)24(31)12-13-27(21,23)6/h16,20,23,33H,2,8-15,17H2,1,3-7H3/t20-,23-,27-,28+,29+,30+/m1/s1

> <INCHI_KEY>
SYOXJVVGHONEHS-HXDJHHRCSA-N

> <FORMULA>
C30H42O4

> <MOLECULAR_WEIGHT>
466.662

> <EXACT_MASS>
466.308309832

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
52.93576164084055

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5R)-5-[(2R)-2-[(2'S,3R,5aS,9aS)-2',6,6,9a-tetramethyl-5'-methylidene-7-oxo-1,2,4,5,5a,6,7,8,9,9a-decahydrospiro[cyclopenta[a]naphthalene-3,1'-cyclopentane]-2'-yl]propyl]-5-hydroxy-3-methyl-2,5-dihydrofuran-2-one

> <ALOGPS_LOGP>
5.27

> <JCHEM_LOGP>
6.362854898

> <ALOGPS_LOGS>
-5.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.69270626327408

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.444292303054555

> <JCHEM_PKA_STRONGEST_BASIC>
-4.3540665455718015

> <JCHEM_POLAR_SURFACE_AREA>
63.6

> <JCHEM_REFRACTIVITY>
134.8181

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.19e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5R)-5-[(2R)-2-[(2'S,3R,5aS,9aS)-2',6,6,9a-tetramethyl-5'-methylidene-7-oxo-2,4,5,5a,8,9-hexahydro-1H-spiro[cyclopenta[a]naphthalene-3,1'-cyclopentane]-2'-yl]propyl]-5-hydroxy-3-methylfuran-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 76 80  0  0  0  0  0  0  0  0999 V2000
    1.3349   -3.0158   -2.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1589   -2.4928   -2.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4343   -2.7765   -3.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7431   -1.9919   -3.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5308   -0.7885   -2.8314 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6577    0.2543   -3.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9315   -0.1389   -2.4655 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6566    0.4374   -3.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8318    0.9373   -1.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1605    1.3425   -0.6816 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9529    2.1092   -1.5624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9345    2.1212    0.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3722    1.4518    1.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    1.7969    3.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9326    0.1941    1.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4022   -0.6921    1.8038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8627    0.1868   -0.2437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7480   -1.5260   -1.6505 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6820   -2.3862   -0.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0154   -2.4628    0.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1797   -1.2161    0.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0038   -0.7306   -0.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9337    0.3866   -0.8755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9262    0.6224    0.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2331    0.6901    1.6532 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2341    1.1544    2.7886 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2123    2.2450    2.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5051    1.7800    3.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0481   -0.0431    3.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2589    0.0268    3.5104 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2920   -1.3067    3.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4467   -1.7493    2.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4627   -0.6716    1.9313 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6806   -0.4453    2.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7713   -2.8026   -1.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8929   -3.6793   -2.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6223   -3.8443   -3.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5828   -0.9457   -2.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6433   -0.2542   -4.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7129    0.6187   -3.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2141    1.3845   -4.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1921    0.5486   -0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3419    1.8337   -1.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6892    2.4677   -1.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4545    3.0885    0.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3624    1.8462    3.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7857    1.0464    3.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8696    2.7684    3.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757   -3.3911   -1.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6589   -1.9193   -0.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7807   -2.4989    1.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3836   -3.3530    0.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5126    0.1827   -1.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3603    1.3050   -1.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6923   -0.1629    0.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347    1.5613    0.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    1.4831    1.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6707    3.0838    1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8194    2.6496    3.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9294    1.8516    1.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0868    1.0423    4.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1959    2.3675    4.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7053    2.4552    3.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.1463    4.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0179   -2.0931    3.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1216   -2.0498    1.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9021   -2.6570    2.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2447   -1.3633    3.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3895    0.3053    2.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3330   -0.1192    3.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0
 31 32  1  0
 29 26  1  0
 26 25  1  0
 22 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 33 32  1  0
  5  6  1  6
 33 25  1  0
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  4  5  1  0
  5  7  1  0
  5 18  1  0
  7  9  1  0
 31 29  1  0
  9 10  1  0
 10 12  1  0
 18  2  1  6
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 25 24  1  0
 24 23  1  0
 12 13  2  0
 13 15  1  0
 15 17  1  0
 17 10  1  0
 23 22  1  0
 10 11  1  6
 15 16  2  0
 29 30  2  0
 13 14  1  0
  2  3  1  0
 26 28  1  0
 33 34  1  1
  2  1  2  3
 21 22  2  0
  7  8  1  0
  3 37  1  0
  3 38  1  0
  4 39  1  0
  4 40  1  0
 31 70  1  0
 31 71  1  0
 32 72  1  0
 32 73  1  0
 25 63  1  6
 24 61  1  0
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 23 59  1  0
 23 60  1  0
 34 74  1  0
 34 75  1  0
 34 76  1  0
 19 55  1  0
 19 56  1  0
 20 57  1  0
 20 58  1  0
  6 41  1  0
  6 42  1  0
  6 43  1  0
 27 64  1  0
 27 65  1  0
 27 66  1  0
  7 44  1  1
  9 48  1  0
  9 49  1  0
 12 51  1  0
 11 50  1  0
 14 52  1  0
 14 53  1  0
 14 54  1  0
 28 67  1  0
 28 68  1  0
 28 69  1  0
  1 35  1  0
  1 36  1  0
  8 45  1  0
  8 46  1  0
  8 47  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       1.335  -3.016  -2.048  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.159  -2.493  -2.429  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.434  -2.777  -3.784  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.743  -1.992  -3.799  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.531  -0.789  -2.831  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.658   0.254  -3.583  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.932  -0.139  -2.466  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.657   0.437  -3.697  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.832   0.937  -1.347  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.160   1.343  -0.682  0.00  0.00           C+0
HETATM   11  O   UNK     0      -4.953   2.109  -1.562  0.00  0.00           O+0
HETATM   12  C   UNK     0      -3.934   2.121   0.558  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.372   1.452   1.622  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.346   1.797   3.058  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.933   0.194   1.114  0.00  0.00           C+0
HETATM   16  O   UNK     0      -5.402  -0.692   1.804  0.00  0.00           O+0
HETATM   17  O   UNK     0      -4.863   0.187  -0.244  0.00  0.00           O+0
HETATM   18  C   UNK     0      -0.748  -1.526  -1.651  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.682  -2.386  -0.747  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.015  -2.463   0.624  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.180  -1.216   0.656  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.004  -0.731  -0.586  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.934   0.387  -0.876  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.926   0.622   0.264  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.233   0.690   1.653  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.234   1.154   2.789  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.212   2.245   2.286  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.505   1.780   3.998  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.048  -0.043   3.294  0.00  0.00           C+0
HETATM   30  O   UNK     0       4.259   0.027   3.510  0.00  0.00           O+0
HETATM   31  C   UNK     0       2.292  -1.307   3.624  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.447  -1.749   2.445  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.463  -0.672   1.931  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.681  -0.445   2.945  0.00  0.00           C+0
HETATM   35  H   UNK     0       1.771  -2.803  -1.078  0.00  0.00           H+0
HETATM   36  H   UNK     0       1.893  -3.679  -2.701  0.00  0.00           H+0
HETATM   37  H   UNK     0      -0.622  -3.844  -3.935  0.00  0.00           H+0
HETATM   38  H   UNK     0       0.235  -2.420  -4.575  0.00  0.00           H+0
HETATM   39  H   UNK     0      -1.989  -1.689  -4.822  0.00  0.00           H+0
HETATM   40  H   UNK     0      -2.562  -2.633  -3.447  0.00  0.00           H+0
HETATM   41  H   UNK     0      -0.582   1.196  -3.036  0.00  0.00           H+0
HETATM   42  H   UNK     0       0.360  -0.103  -3.770  0.00  0.00           H+0
HETATM   43  H   UNK     0      -1.082   0.493  -4.565  0.00  0.00           H+0
HETATM   44  H   UNK     0      -3.583  -0.946  -2.112  0.00  0.00           H+0
HETATM   45  H   UNK     0      -3.643  -0.254  -4.544  0.00  0.00           H+0
HETATM   46  H   UNK     0      -4.713   0.619  -3.478  0.00  0.00           H+0
HETATM   47  H   UNK     0      -3.214   1.385  -4.022  0.00  0.00           H+0
HETATM   48  H   UNK     0      -2.192   0.549  -0.553  0.00  0.00           H+0
HETATM   49  H   UNK     0      -2.342   1.834  -1.747  0.00  0.00           H+0
HETATM   50  H   UNK     0      -5.689   2.468  -1.042  0.00  0.00           H+0
HETATM   51  H   UNK     0      -3.454   3.088   0.578  0.00  0.00           H+0
HETATM   52  H   UNK     0      -5.362   1.846   3.460  0.00  0.00           H+0
HETATM   53  H   UNK     0      -3.786   1.046   3.624  0.00  0.00           H+0
HETATM   54  H   UNK     0      -3.870   2.768   3.225  0.00  0.00           H+0
HETATM   55  H   UNK     0      -1.876  -3.391  -1.141  0.00  0.00           H+0
HETATM   56  H   UNK     0      -2.659  -1.919  -0.596  0.00  0.00           H+0
HETATM   57  H   UNK     0      -1.781  -2.499   1.402  0.00  0.00           H+0
HETATM   58  H   UNK     0      -0.384  -3.353   0.710  0.00  0.00           H+0
HETATM   59  H   UNK     0       1.513   0.183  -1.782  0.00  0.00           H+0
HETATM   60  H   UNK     0       0.360   1.305  -1.040  0.00  0.00           H+0
HETATM   61  H   UNK     0       2.692  -0.163   0.263  0.00  0.00           H+0
HETATM   62  H   UNK     0       2.435   1.561   0.025  0.00  0.00           H+0
HETATM   63  H   UNK     0       0.475   1.483   1.560  0.00  0.00           H+0
HETATM   64  H   UNK     0       2.671   3.084   1.835  0.00  0.00           H+0
HETATM   65  H   UNK     0       3.819   2.650   3.106  0.00  0.00           H+0
HETATM   66  H   UNK     0       3.929   1.852   1.557  0.00  0.00           H+0
HETATM   67  H   UNK     0       1.087   1.042   4.684  0.00  0.00           H+0
HETATM   68  H   UNK     0       2.196   2.368   4.616  0.00  0.00           H+0
HETATM   69  H   UNK     0       0.705   2.455   3.676  0.00  0.00           H+0
HETATM   70  H   UNK     0       1.690  -1.146   4.522  0.00  0.00           H+0
HETATM   71  H   UNK     0       3.018  -2.093   3.861  0.00  0.00           H+0
HETATM   72  H   UNK     0       2.122  -2.050   1.631  0.00  0.00           H+0
HETATM   73  H   UNK     0       0.902  -2.657   2.736  0.00  0.00           H+0
HETATM   74  H   UNK     0      -1.245  -1.363   3.141  0.00  0.00           H+0
HETATM   75  H   UNK     0      -1.389   0.305   2.577  0.00  0.00           H+0
HETATM   76  H   UNK     0      -0.333  -0.119   3.922  0.00  0.00           H+0
CONECT    1    2   35   36                                                  
CONECT    2   18    3    1                                                  
CONECT    3    4    2   37   38                                             
CONECT    4    3    5   39   40                                             
CONECT    5    6    4    7   18                                             
CONECT    6    5   41   42   43                                             
CONECT    7    5    9    8   44                                             
CONECT    8    7   45   46   47                                             
CONECT    9    7   10   48   49                                             
CONECT   10    9   12   17   11                                             
CONECT   11   10   50                                                       
CONECT   12   10   13   51                                                  
CONECT   13   12   15   14                                                  
CONECT   14   13   52   53   54                                             
CONECT   15   13   17   16                                                  
CONECT   16   15                                                            
CONECT   17   15   10                                                       
CONECT   18   22   19    5    2                                             
CONECT   19   18   20   55   56                                             
CONECT   20   19   21   57   58                                             
CONECT   21   20   33   22                                                  
CONECT   22   18   23   21                                                  
CONECT   23   24   22   59   60                                             
CONECT   24   25   23   61   62                                             
CONECT   25   26   33   24   63                                             
CONECT   26   29   25   27   28                                             
CONECT   27   26   64   65   66                                             
CONECT   28   26   67   68   69                                             
CONECT   29   26   31   30                                                  
CONECT   30   29                                                            
CONECT   31   32   29   70   71                                             
CONECT   32   31   33   72   73                                             
CONECT   33   32   25   21   34                                             
CONECT   34   33   74   75   76                                             
CONECT   35    1                                                            
CONECT   36    1                                                            
CONECT   37    3                                                            
CONECT   38    3                                                            
CONECT   39    4                                                            
CONECT   40    4                                                            
CONECT   41    6                                                            
CONECT   42    6                                                            
CONECT   43    6                                                            
CONECT   44    7                                                            
CONECT   45    8                                                            
CONECT   46    8                                                            
CONECT   47    8                                                            
CONECT   48    9                                                            
CONECT   49    9                                                            
CONECT   50   11                                                            
CONECT   51   12                                                            
CONECT   52   14                                                            
CONECT   53   14                                                            
CONECT   54   14                                                            
CONECT   55   19                                                            
CONECT   56   19                                                            
CONECT   57   20                                                            
CONECT   58   20                                                            
CONECT   59   23                                                            
CONECT   60   23                                                            
CONECT   61   24                                                            
CONECT   62   24                                                            
CONECT   63   25                                                            
CONECT   64   27                                                            
CONECT   65   27                                                            
CONECT   66   27                                                            
CONECT   67   28                                                            
CONECT   68   28                                                            
CONECT   69   28                                                            
CONECT   70   31                                                            
CONECT   71   31                                                            
CONECT   72   32                                                            
CONECT   73   32                                                            
CONECT   74   34                                                            
CONECT   75   34                                                            
CONECT   76   34                                                            
MASTER        0    0    0    0    0    0    0    0   76    0  160    0
END

RDKit          3D

76 80  0  0  0  0  0  0  0  0999 V2000
    1.3349   -3.0158   -2.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1589   -2.4928   -2.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4343   -2.7765   -3.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7431   -1.9919   -3.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5308   -0.7885   -2.8314 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6577    0.2543   -3.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9315   -0.1389   -2.4655 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6566    0.4374   -3.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8318    0.9373   -1.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1605    1.3425   -0.6816 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9529    2.1092   -1.5624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9345    2.1212    0.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3722    1.4518    1.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    1.7969    3.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9326    0.1941    1.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4022   -0.6921    1.8038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8627    0.1868   -0.2437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7480   -1.5260   -1.6505 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6820   -2.3862   -0.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0154   -2.4628    0.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1797   -1.2161    0.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0038   -0.7306   -0.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9337    0.3866   -0.8755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9262    0.6224    0.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2331    0.6901    1.6532 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2341    1.1544    2.7886 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2123    2.2450    2.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5051    1.7800    3.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0481   -0.0431    3.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2589    0.0268    3.5104 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2920   -1.3067    3.6237 C   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

C₃₀H₄₂O₄

Average Mass

466.6620 Da

Monoisotopic Mass

466.30831 Da

IUPAC Name

(5R)-5-[(2R)-2-[(2'S,3R,5aS,9aS)-2',6,6,9a-tetramethyl-5'-methylidene-7-oxo-1,2,4,5,5a,6,7,8,9,9a-decahydrospiro[cyclopenta[a]naphthalene-3,1'-cyclopentane]-2'-yl]propyl]-5-hydroxy-3-methyl-2,5-dihydrofuran-2-one

Traditional Name

(5R)-5-[(2R)-2-[(2'S,3R,5aS,9aS)-2',6,6,9a-tetramethyl-5'-methylidene-7-oxo-2,4,5,5a,8,9-hexahydro-1H-spiro[cyclopenta[a]naphthalene-3,1'-cyclopentane]-2'-yl]propyl]-5-hydroxy-3-methylfuran-2-one

CAS Registry Number

Not Available

SMILES

[H]O[C@@]1(OC(=O)C(=C1[H])C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])C(=C([H])[H])[C@@]11C2=C(C([H])([H])C1([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C2([H])[H]

InChI Identifier

InChI=1S/C30H42O4/c1-18-16-29(33,34-25(18)32)17-20(3)28(7)14-10-19(2)30(28)15-11-21-22(30)8-9-23-26(4,5)24(31)12-13-27(21,23)6/h16,20,23,33H,2,8-15,17H2,1,3-7H3/t20-,23-,27-,28+,29+,30+/m1/s1

InChI Key

SYOXJVVGHONEHS-HXDJHHRCSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CDCl₃, 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
Abies nephrolepis	JEOL database	Ou-Yang, D.-W., et al, Phytochem. 72, 2197 (2011)

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	5.27	ALOGPS
logP	6.36	ChemAxon
logS	-5.6	ALOGPS
pKa (Strongest Acidic)	11.44	ChemAxon
pKa (Strongest Basic)	-4.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	63.6 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	134.82 m³·mol⁻¹	ChemAxon
Polarizability	52.94 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

Not Available

References

General References

Ou-Yang, D.-W., et al. (2011). Ou-Yang, D.-W., et al, Phytochem. 72, 2197 (2011). Phytochem..

Showing NP-Card for (5R,20R)-23-hydroxyl-8(14-13R)-abeo-17,13-friedo-3-oxolanosta-8,14(30), 2+ (NP0040836)

MOL for NP0040836 ((5R,20R)-23-hydroxyl-8(14-13R)-abeo-17,13-friedo-3-oxolanosta-8,14(30), 2+)

3D MOL for NP0040836 ((5R,20R)-23-hydroxyl-8(14-13R)-abeo-17,13-friedo-3-oxolanosta-8,14(30), 2+)

3D SDF for NP0040836 ((5R,20R)-23-hydroxyl-8(14-13R)-abeo-17,13-friedo-3-oxolanosta-8,14(30), 2+)

3D-SDF for NP0040836 ((5R,20R)-23-hydroxyl-8(14-13R)-abeo-17,13-friedo-3-oxolanosta-8,14(30), 2+)

PDB for NP0040836 ((5R,20R)-23-hydroxyl-8(14-13R)-abeo-17,13-friedo-3-oxolanosta-8,14(30), 2+)

3D PDB for NP0040836 ((5R,20R)-23-hydroxyl-8(14-13R)-abeo-17,13-friedo-3-oxolanosta-8,14(30), 2+)

SMILES for NP0040836 ((5R,20R)-23-hydroxyl-8(14-13R)-abeo-17,13-friedo-3-oxolanosta-8,14(30), 2+)

INCHI for NP0040836 ((5R,20R)-23-hydroxyl-8(14-13R)-abeo-17,13-friedo-3-oxolanosta-8,14(30), 2+)

Structure for NP0040836 ((5R,20R)-23-hydroxyl-8(14-13R)-abeo-17,13-friedo-3-oxolanosta-8,14(30), 2+)

3D Structure for NP0040836 ((5R,20R)-23-hydroxyl-8(14-13R)-abeo-17,13-friedo-3-oxolanosta-8,14(30), 2+)