NP-MRD: Showing NP-Card for (24Z)-stigmasta-5,24(28)-dien-3beta,7alpha-diol (NP0024922)

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Record Information

Version

2.0

Created at

2021-06-19 17:10:34 UTC

Updated at

2021-06-29 23:49:32 UTC

NP-MRD ID

NP0024922

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(24Z)-stigmasta-5,24(28)-dien-3beta,7alpha-diol

Provided By

JEOL Database JEOL Logo

Description

(24Z)-stigmasta-5,24(28)-dien-3beta,7alpha-diol is found in Apis mellifera. (24Z)-stigmasta-5,24(28)-dien-3beta,7alpha-diol was first documented in 2007 (Kodai, T., et al.).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306192119103D          

 79 82  0  0  0  0            999 V2000
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   -2.0355    0.6891   -6.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

 79 82  0  0  0  0  0  0  0  0999 V2000
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    1.2973    0.7305   -6.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    1.4607   -8.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2307    1.4529   -8.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    2.6041   -7.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1254   -1.1258   -8.3256 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7812   -1.0423   -7.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4883   -1.5833   -6.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
 18 25  1  0
 18 19  1  6
 18 13  1  0
 25 26  2  0
 26 27  1  0
 27 12  1  0
 13 12  1  0
 13 14  1  0
 12 11  1  0
 16 15  1  0
 24 22  1  0
  6  7  1  0
 29 30  1  0
 22 23  1  0
 16 11  1  0
  5  4  1  0
  4  3  1  0
  6  5  1  0
  3 29  1  0
 11 10  1  0
 10  9  1  0
  9  8  1  0
  8 16  1  0
 15 14  1  0
 16 17  1  1
 21 22  1  0
 27 28  1  0
  8  6  1  0
 21 20  1  0
 29 31  1  0
 24 25  1  0
  3  2  2  0
 18 20  1  0
  2  1  1  0
  7 41  1  0
  7 42  1  0
  7 43  1  0
  6 40  1  6
  5 38  1  0
  5 39  1  0
  4 36  1  0
  4 37  1  0
 29 73  1  1
 30 74  1  0
 30 75  1  0
 30 76  1  0
 23 67  1  0
 21 64  1  0
 21 65  1  0
 20 62  1  0
 20 63  1  0
 26 70  1  0
 27 71  1  1
 13 51  1  1
 12 50  1  6
 15 54  1  0
 15 55  1  0
 14 52  1  0
 14 53  1  0
 19 59  1  0
 19 60  1  0
 19 61  1  0
 24 68  1  0
 24 69  1  0
 22 66  1  6
 11 49  1  1
 10 47  1  0
 10 48  1  0
  9 45  1  0
  9 46  1  0
  8 44  1  6
 17 56  1  0
 17 57  1  0
 17 58  1  0
 28 72  1  0
 31 77  1  0
 31 78  1  0
 31 79  1  0
  2 35  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
M  END


  Mrv1652306192119103D          

 79 82  0  0  0  0            999 V2000
   -2.3779    0.2841   -8.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0355    0.6891   -6.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274    0.8173   -6.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7698    1.2793   -4.8940 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4802    0.1200   -3.9294 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2525    0.5681   -2.4590 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5155    1.2335   -1.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2920   -0.6395   -1.6326 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7489   -1.7701   -1.3894 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8448   -1.9891    0.1276 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2758   -0.7057    0.7141 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0991   -0.6959    2.2045 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6891    0.6979    2.5852 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7811    1.1823    1.5907 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3866    1.0448    0.1101 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9033   -0.3746   -0.2185 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1029   -1.3574   -0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1465    0.7430    4.1019 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4928    0.0064    4.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3065    2.2360    4.5183 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5024    2.4557    6.0180 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3718    1.8224    6.8231 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6266    1.9997    8.2149 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2256    0.3339    6.5018 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1049    0.0774    5.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8873   -0.7010    4.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1050   -1.0422    3.1068 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2839   -0.3554    2.7010 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5356    0.5691   -6.9870 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8629    1.5764   -8.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7344   -0.8752   -7.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9981    1.0588   -8.7941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9550   -0.6456   -8.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5132    0.1313   -8.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9199    0.9043   -6.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042    2.0591   -4.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7183    1.7570   -4.6222 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4153   -0.4118   -4.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3057   -0.6015   -3.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5394    1.3282   -2.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7551    2.1448   -2.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966    1.5472   -0.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3877    0.5762   -1.9575 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0912   -1.0675   -2.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4329   -2.6976   -1.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7346   -1.5243   -1.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8806   -2.1636    0.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2614   -2.8654    0.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0468    0.0632    0.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8631   -1.4602    2.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1378    1.4174    2.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166    0.6387    1.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0096    2.2373    1.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6084    1.7861   -0.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414    1.3147   -0.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5046   -1.3881    0.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8380   -2.3861   -0.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9254   -1.0600   -0.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4613   -1.0139    3.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7691   -0.0741    5.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3198    0.5320    3.8175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1561    2.6893    3.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4161    2.8003    4.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4710    2.0560    6.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5461    3.5307    6.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5692    2.3392    6.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4713    1.5655    8.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6401   -0.0594    7.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0854   -0.2198    6.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6093   -1.1363    5.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3118   -2.1151    3.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1871    0.5717    2.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2973    0.7305   -6.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    1.4607   -8.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2307    1.4529   -8.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    2.6041   -7.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1254   -1.1258   -8.3256 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7812   -1.0423   -7.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4883   -1.5833   -6.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
 18 25  1  0  0  0  0
 18 19  1  6  0  0  0
 18 13  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 12  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 12 11  1  0  0  0  0
 16 15  1  0  0  0  0
 24 22  1  0  0  0  0
  6  7  1  0  0  0  0
 29 30  1  0  0  0  0
 22 23  1  0  0  0  0
 16 11  1  0  0  0  0
  5  4  1  0  0  0  0
  4  3  1  0  0  0  0
  6  5  1  0  0  0  0
  3 29  1  0  0  0  0
 11 10  1  0  0  0  0
 10  9  1  0  0  0  0
  9  8  1  0  0  0  0
  8 16  1  0  0  0  0
 15 14  1  0  0  0  0
 16 17  1  1  0  0  0
 21 22  1  0  0  0  0
 27 28  1  0  0  0  0
  8  6  1  0  0  0  0
 21 20  1  0  0  0  0
 29 31  1  0  0  0  0
 24 25  1  0  0  0  0
  3  2  2  0  0  0  0
 18 20  1  0  0  0  0
  2  1  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  6 40  1  6  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
 29 73  1  1  0  0  0
 30 74  1  0  0  0  0
 30 75  1  0  0  0  0
 30 76  1  0  0  0  0
 23 67  1  0  0  0  0
 21 64  1  0  0  0  0
 21 65  1  0  0  0  0
 20 62  1  0  0  0  0
 20 63  1  0  0  0  0
 26 70  1  0  0  0  0
 27 71  1  1  0  0  0
 13 51  1  1  0  0  0
 12 50  1  6  0  0  0
 15 54  1  0  0  0  0
 15 55  1  0  0  0  0
 14 52  1  0  0  0  0
 14 53  1  0  0  0  0
 19 59  1  0  0  0  0
 19 60  1  0  0  0  0
 19 61  1  0  0  0  0
 24 68  1  0  0  0  0
 24 69  1  0  0  0  0
 22 66  1  6  0  0  0
 11 49  1  1  0  0  0
 10 47  1  0  0  0  0
 10 48  1  0  0  0  0
  9 45  1  0  0  0  0
  9 46  1  0  0  0  0
  8 44  1  6  0  0  0
 17 56  1  0  0  0  0
 17 57  1  0  0  0  0
 17 58  1  0  0  0  0
 28 72  1  0  0  0  0
 31 77  1  0  0  0  0
 31 78  1  0  0  0  0
 31 79  1  0  0  0  0
  2 35  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0024922

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@]1([H])C([H])=C2C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]12[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])[H])\C([H])(C([H])([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h7,17-19,22-27,30-31H,8-16H2,1-6H3/b20-7-/t19-,22+,23+,24+,25+,26-,27+,28+,29-/m1/s1

> <INCHI_KEY>
PCCQJCRNEPTFRN-IOSZAORVSA-N

> <FORMULA>
C29H48O2

> <MOLECULAR_WEIGHT>
428.701

> <EXACT_MASS>
428.365430786

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
53.975795206888336

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,5S,9S,10S,11S,14S,15R)-2,15-dimethyl-14-[(2R,5Z)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,9-diol

> <ALOGPS_LOGP>
6.05

> <JCHEM_LOGP>
6.286039973666668

> <ALOGPS_LOGS>
-5.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.19712821395588

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.204233421519334

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8269276784513323

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
132.0546

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.18e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,5S,9S,10S,11S,14S,15R)-14-[(2R,5Z)-5-isopropylhept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,9-diol

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 79 82  0  0  0  0  0  0  0  0999 V2000
   -2.3779    0.2841   -8.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0355    0.6891   -6.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274    0.8173   -6.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7698    1.2793   -4.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4802    0.1200   -3.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2525    0.5681   -2.4590 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5155    1.2335   -1.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2920   -0.6395   -1.6326 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7489   -1.7701   -1.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448   -1.9891    0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2758   -0.7057    0.7141 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0991   -0.6959    2.2045 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6891    0.6979    2.5852 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7811    1.1823    1.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3866    1.0448    0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9033   -0.3746   -0.2185 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1029   -1.3574   -0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1465    0.7430    4.1019 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4928    0.0064    4.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3065    2.2360    4.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5024    2.4557    6.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3718    1.8224    6.8231 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6266    1.9997    8.2149 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2256    0.3339    6.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1049    0.0774    5.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8873   -0.7010    4.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1050   -1.0422    3.1068 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2839   -0.3554    2.7010 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5356    0.5691   -6.9870 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8629    1.5764   -8.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7344   -0.8752   -7.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9981    1.0588   -8.7941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9550   -0.6456   -8.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5132    0.1313   -8.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9199    0.9043   -6.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042    2.0591   -4.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7183    1.7570   -4.6222 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4153   -0.4118   -4.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3057   -0.6015   -3.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5394    1.3282   -2.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7551    2.1448   -2.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966    1.5472   -0.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3877    0.5762   -1.9575 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0912   -1.0675   -2.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4329   -2.6976   -1.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7346   -1.5243   -1.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8806   -2.1636    0.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2614   -2.8654    0.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0468    0.0632    0.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8631   -1.4602    2.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1378    1.4174    2.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166    0.6387    1.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0096    2.2373    1.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6084    1.7861   -0.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414    1.3147   -0.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5046   -1.3881    0.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8380   -2.3861   -0.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9254   -1.0600   -0.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4613   -1.0139    3.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7691   -0.0741    5.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3198    0.5320    3.8175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1561    2.6893    3.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4161    2.8003    4.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4710    2.0560    6.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5461    3.5307    6.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5692    2.3392    6.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4713    1.5655    8.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6401   -0.0594    7.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0854   -0.2198    6.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6093   -1.1363    5.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3118   -2.1151    3.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1871    0.5717    2.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2973    0.7305   -6.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    1.4607   -8.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2307    1.4529   -8.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    2.6041   -7.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1254   -1.1258   -8.3256 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7812   -1.0423   -7.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4883   -1.5833   -6.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
 18 25  1  0
 18 19  1  6
 18 13  1  0
 25 26  2  0
 26 27  1  0
 27 12  1  0
 13 12  1  0
 13 14  1  0
 12 11  1  0
 16 15  1  0
 24 22  1  0
  6  7  1  0
 29 30  1  0
 22 23  1  0
 16 11  1  0
  5  4  1  0
  4  3  1  0
  6  5  1  0
  3 29  1  0
 11 10  1  0
 10  9  1  0
  9  8  1  0
  8 16  1  0
 15 14  1  0
 16 17  1  1
 21 22  1  0
 27 28  1  0
  8  6  1  0
 21 20  1  0
 29 31  1  0
 24 25  1  0
  3  2  2  0
 18 20  1  0
  2  1  1  0
  7 41  1  0
  7 42  1  0
  7 43  1  0
  6 40  1  6
  5 38  1  0
  5 39  1  0
  4 36  1  0
  4 37  1  0
 29 73  1  1
 30 74  1  0
 30 75  1  0
 30 76  1  0
 23 67  1  0
 21 64  1  0
 21 65  1  0
 20 62  1  0
 20 63  1  0
 26 70  1  0
 27 71  1  1
 13 51  1  1
 12 50  1  6
 15 54  1  0
 15 55  1  0
 14 52  1  0
 14 53  1  0
 19 59  1  0
 19 60  1  0
 19 61  1  0
 24 68  1  0
 24 69  1  0
 22 66  1  6
 11 49  1  1
 10 47  1  0
 10 48  1  0
  9 45  1  0
  9 46  1  0
  8 44  1  6
 17 56  1  0
 17 57  1  0
 17 58  1  0
 28 72  1  0
 31 77  1  0
 31 78  1  0
 31 79  1  0
  2 35  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
M  END

HEADER    PROTEIN                                 19-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-JUN-21         0                                  
HETATM    1  C   UNK     0      -2.378   0.284  -8.332  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.035   0.689  -6.935  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.827   0.817  -6.346  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.770   1.279  -4.894  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.480   0.120  -3.929  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.253   0.568  -2.459  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.516   1.234  -1.898  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.292  -0.640  -1.633  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.749  -1.770  -1.389  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.845  -1.989   0.128  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.276  -0.706   0.714  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.099  -0.696   2.204  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.689   0.698   2.585  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.781   1.182   1.591  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.387   1.045   0.110  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.903  -0.375  -0.219  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.103  -1.357  -0.057  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.147   0.743   4.102  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.493   0.006   4.306  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.307   2.236   4.518  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.502   2.456   6.018  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.372   1.822   6.823  0.00  0.00           C+0
HETATM   23  O   UNK     0       0.627   2.000   8.215  0.00  0.00           O+0
HETATM   24  C   UNK     0       0.226   0.334   6.502  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.105   0.077   5.014  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.887  -0.701   4.545  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.105  -1.042   3.107  0.00  0.00           C+0
HETATM   28  O   UNK     0      -2.284  -0.355   2.701  0.00  0.00           O+0
HETATM   29  C   UNK     0       0.536   0.569  -6.987  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.863   1.576  -8.092  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.734  -0.875  -7.454  0.00  0.00           C+0
HETATM   32  H   UNK     0      -2.998   1.059  -8.794  0.00  0.00           H+0
HETATM   33  H   UNK     0      -2.955  -0.646  -8.314  0.00  0.00           H+0
HETATM   34  H   UNK     0      -1.513   0.131  -8.976  0.00  0.00           H+0
HETATM   35  H   UNK     0      -2.920   0.904  -6.334  0.00  0.00           H+0
HETATM   36  H   UNK     0      -0.004   2.059  -4.795  0.00  0.00           H+0
HETATM   37  H   UNK     0      -1.718   1.757  -4.622  0.00  0.00           H+0
HETATM   38  H   UNK     0       0.415  -0.412  -4.274  0.00  0.00           H+0
HETATM   39  H   UNK     0      -1.306  -0.602  -3.977  0.00  0.00           H+0
HETATM   40  H   UNK     0       0.539   1.328  -2.481  0.00  0.00           H+0
HETATM   41  H   UNK     0      -1.755   2.145  -2.455  0.00  0.00           H+0
HETATM   42  H   UNK     0      -1.397   1.547  -0.861  0.00  0.00           H+0
HETATM   43  H   UNK     0      -2.388   0.576  -1.958  0.00  0.00           H+0
HETATM   44  H   UNK     0       1.091  -1.067  -2.255  0.00  0.00           H+0
HETATM   45  H   UNK     0      -0.433  -2.698  -1.881  0.00  0.00           H+0
HETATM   46  H   UNK     0      -1.735  -1.524  -1.794  0.00  0.00           H+0
HETATM   47  H   UNK     0      -1.881  -2.164   0.436  0.00  0.00           H+0
HETATM   48  H   UNK     0      -0.261  -2.865   0.431  0.00  0.00           H+0
HETATM   49  H   UNK     0      -1.047   0.063   0.582  0.00  0.00           H+0
HETATM   50  H   UNK     0       0.863  -1.460   2.388  0.00  0.00           H+0
HETATM   51  H   UNK     0      -0.138   1.417   2.477  0.00  0.00           H+0
HETATM   52  H   UNK     0       2.717   0.639   1.748  0.00  0.00           H+0
HETATM   53  H   UNK     0       2.010   2.237   1.781  0.00  0.00           H+0
HETATM   54  H   UNK     0       0.608   1.786  -0.093  0.00  0.00           H+0
HETATM   55  H   UNK     0       2.241   1.315  -0.522  0.00  0.00           H+0
HETATM   56  H   UNK     0       2.505  -1.388   0.958  0.00  0.00           H+0
HETATM   57  H   UNK     0       1.838  -2.386  -0.324  0.00  0.00           H+0
HETATM   58  H   UNK     0       2.925  -1.060  -0.719  0.00  0.00           H+0
HETATM   59  H   UNK     0       2.461  -1.014   3.910  0.00  0.00           H+0
HETATM   60  H   UNK     0       2.769  -0.074   5.362  0.00  0.00           H+0
HETATM   61  H   UNK     0       3.320   0.532   3.817  0.00  0.00           H+0
HETATM   62  H   UNK     0       2.156   2.689   3.994  0.00  0.00           H+0
HETATM   63  H   UNK     0       0.416   2.800   4.209  0.00  0.00           H+0
HETATM   64  H   UNK     0       2.471   2.056   6.342  0.00  0.00           H+0
HETATM   65  H   UNK     0       1.546   3.531   6.233  0.00  0.00           H+0
HETATM   66  H   UNK     0      -0.569   2.339   6.599  0.00  0.00           H+0
HETATM   67  H   UNK     0       1.471   1.565   8.424  0.00  0.00           H+0
HETATM   68  H   UNK     0      -0.640  -0.059   7.050  0.00  0.00           H+0
HETATM   69  H   UNK     0       1.085  -0.220   6.900  0.00  0.00           H+0
HETATM   70  H   UNK     0      -1.609  -1.136   5.234  0.00  0.00           H+0
HETATM   71  H   UNK     0      -1.312  -2.115   3.023  0.00  0.00           H+0
HETATM   72  H   UNK     0      -2.187   0.572   2.977  0.00  0.00           H+0
HETATM   73  H   UNK     0       1.297   0.731  -6.211  0.00  0.00           H+0
HETATM   74  H   UNK     0       1.903   1.461  -8.416  0.00  0.00           H+0
HETATM   75  H   UNK     0       0.231   1.453  -8.975  0.00  0.00           H+0
HETATM   76  H   UNK     0       0.741   2.604  -7.731  0.00  0.00           H+0
HETATM   77  H   UNK     0       0.125  -1.126  -8.326  0.00  0.00           H+0
HETATM   78  H   UNK     0       1.781  -1.042  -7.732  0.00  0.00           H+0
HETATM   79  H   UNK     0       0.488  -1.583  -6.655  0.00  0.00           H+0
CONECT    1    2   32   33   34                                             
CONECT    2    3    1   35                                                  
CONECT    3    4   29    2                                                  
CONECT    4    5    3   36   37                                             
CONECT    5    4    6   38   39                                             
CONECT    6    7    5    8   40                                             
CONECT    7    6   41   42   43                                             
CONECT    8    9   16    6   44                                             
CONECT    9   10    8   45   46                                             
CONECT   10   11    9   47   48                                             
CONECT   11   12   16   10   49                                             
CONECT   12   27   13   11   50                                             
CONECT   13   18   12   14   51                                             
CONECT   14   13   15   52   53                                             
CONECT   15   16   14   54   55                                             
CONECT   16   15   11    8   17                                             
CONECT   17   16   56   57   58                                             
CONECT   18   25   19   13   20                                             
CONECT   19   18   59   60   61                                             
CONECT   20   21   18   62   63                                             
CONECT   21   22   20   64   65                                             
CONECT   22   24   23   21   66                                             
CONECT   23   22   67                                                       
CONECT   24   22   25   68   69                                             
CONECT   25   18   26   24                                                  
CONECT   26   25   27   70                                                  
CONECT   27   26   12   28   71                                             
CONECT   28   27   72                                                       
CONECT   29   30    3   31   73                                             
CONECT   30   29   74   75   76                                             
CONECT   31   29   77   78   79                                             
CONECT   32    1                                                            
CONECT   33    1                                                            
CONECT   34    1                                                            
CONECT   35    2                                                            
CONECT   36    4                                                            
CONECT   37    4                                                            
CONECT   38    5                                                            
CONECT   39    5                                                            
CONECT   40    6                                                            
CONECT   41    7                                                            
CONECT   42    7                                                            
CONECT   43    7                                                            
CONECT   44    8                                                            
CONECT   45    9                                                            
CONECT   46    9                                                            
CONECT   47   10                                                            
CONECT   48   10                                                            
CONECT   49   11                                                            
CONECT   50   12                                                            
CONECT   51   13                                                            
CONECT   52   14                                                            
CONECT   53   14                                                            
CONECT   54   15                                                            
CONECT   55   15                                                            
CONECT   56   17                                                            
CONECT   57   17                                                            
CONECT   58   17                                                            
CONECT   59   19                                                            
CONECT   60   19                                                            
CONECT   61   19                                                            
CONECT   62   20                                                            
CONECT   63   20                                                            
CONECT   64   21                                                            
CONECT   65   21                                                            
CONECT   66   22                                                            
CONECT   67   23                                                            
CONECT   68   24                                                            
CONECT   69   24                                                            
CONECT   70   26                                                            
CONECT   71   27                                                            
CONECT   72   28                                                            
CONECT   73   29                                                            
CONECT   74   30                                                            
CONECT   75   30                                                            
CONECT   76   30                                                            
CONECT   77   31                                                            
CONECT   78   31                                                            
CONECT   79   31                                                            
MASTER        0    0    0    0    0    0    0    0   79    0  164    0
END

RDKit          3D

79 82  0  0  0  0  0  0  0  0999 V2000
   -2.3779    0.2841   -8.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0355    0.6891   -6.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274    0.8173   -6.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7698    1.2793   -4.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4802    0.1200   -3.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2525    0.5681   -2.4590 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5155    1.2335   -1.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2920   -0.6395   -1.6326 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7489   -1.7701   -1.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448   -1.9891    0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2758   -0.7057    0.7141 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0991   -0.6959    2.2045 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6891    0.6979    2.5852 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7811    1.1823    1.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3866    1.0448    0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9033   -0.3746   -0.2185 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1029   -1.3574   -0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1465    0.7430    4.1019 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4928    0.0064    4.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3065    2.2360    4.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5024    2.4557    6.0180 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

C₂₉H₄₈O₂

Average Mass

428.7010 Da

Monoisotopic Mass

428.36543 Da

IUPAC Name

(1S,2R,5S,9S,10S,11S,14S,15R)-2,15-dimethyl-14-[(2R,5Z)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,9-diol

Traditional Name

(1S,2R,5S,9S,10S,11S,14S,15R)-14-[(2R,5Z)-5-isopropylhept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-ene-5,9-diol

CAS Registry Number

Not Available

SMILES

[H]O[C@]1([H])C([H])=C2C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]12[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])[H])\C([H])(C([H])([H])[H])C([H])([H])[H]

InChI Identifier

InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h7,17-19,22-27,30-31H,8-16H2,1-6H3/b20-7-/t19-,22+,23+,24+,25+,26-,27+,28+,29-/m1/s1

InChI Key

PCCQJCRNEPTFRN-IOSZAORVSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
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, 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, 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, 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, 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
Apis mellifera	JEOL database	Kodai, T., et al, Chem. Pharm. Bull. 55, 1528 (2007)

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	6.05	ALOGPS
logP	6.29	ChemAxon
logS	-5.6	ALOGPS
pKa (Strongest Acidic)	18.2	ChemAxon
pKa (Strongest Basic)	-0.83	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	40.46 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	132.05 m³·mol⁻¹	ChemAxon
Polarizability	53.98 Å³	ChemAxon
Number of Rings	4	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

Kodai, T., et al. (2007). Kodai, T., et al, Chem. Pharm. Bull. 55, 1528 (2007). Chem. Pharm. Bull..

Showing NP-Card for (24Z)-stigmasta-5,24(28)-dien-3beta,7alpha-diol (NP0024922)

MOL for NP0024922 ((24Z)-stigmasta-5,24(28)-dien-3beta,7alpha-diol)

3D MOL for NP0024922 ((24Z)-stigmasta-5,24(28)-dien-3beta,7alpha-diol)

3D SDF for NP0024922 ((24Z)-stigmasta-5,24(28)-dien-3beta,7alpha-diol)

3D-SDF for NP0024922 ((24Z)-stigmasta-5,24(28)-dien-3beta,7alpha-diol)

PDB for NP0024922 ((24Z)-stigmasta-5,24(28)-dien-3beta,7alpha-diol)

3D PDB for NP0024922 ((24Z)-stigmasta-5,24(28)-dien-3beta,7alpha-diol)

SMILES for NP0024922 ((24Z)-stigmasta-5,24(28)-dien-3beta,7alpha-diol)

INCHI for NP0024922 ((24Z)-stigmasta-5,24(28)-dien-3beta,7alpha-diol)

Structure for NP0024922 ((24Z)-stigmasta-5,24(28)-dien-3beta,7alpha-diol)

3D Structure for NP0024922 ((24Z)-stigmasta-5,24(28)-dien-3beta,7alpha-diol)