(Q105034249)

English

[(6R)-6-[(2R,3S,9S,10R,13R,14R,17R)-2,3-dihydroxy-10,13-dimethyl-6-oxo-1,2,3,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptan-2-yl] (3S)-3-hydroxybutanoate

chemical compound

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type of chemical entity

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1 reference

[6-(2,3-Dihydroxy-10,13-dimethyl-6-oxo-1,2,3,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-methylheptan-2-yl] 3-hydroxybutanoate

1 reference

based on heuristic

inferred from SMILES

mass

516.345089256 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₈O₆

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canonical SMILES

O=C1C=C2C(CCC3(C)C2CCC3C(C)CCCC(OC(=O)CC(O)C)(C)C)C4(C1=CC(O)C(O)C4)C

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isomeric SMILES

C[C@H](O)CC(=O)OC(C)(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)C4=C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C

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found in taxon

Diaulula sandiegensis

1 reference

stated in

Diaulusterols A and B from the skin extracts of the dorid nudibranch Diaululasandiegensis

Identifiers

InChI

InChI=1S/C31H48O6/c1-18(8-7-12-29(3,4)37-28(36)14-19(2)32)21-9-10-22-20-15-25(33)24-16-26(34)27(35)17-31(24,6)23(20)11-13-30(21,22)5/h15-16,18-19,21-23,26-27,32,34-35H,7-14,17H2,1-6H3/t18-,19+,21-,22+,23+,26+,27-,30-,31-/m1/s1

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InChIKey

HVGPOQMKFKPULV-ZOWONFGMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HVGPOQMKFKPULV-ZOWONFGMSA-N

(Q105034249)

[(6R)-6-[(2R,3S,9S,10R,13R,14R,17R)-2,3-dihydroxy-10,13-dimethyl-6-oxo-1,2,3,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptan-2-yl] (3S)-3-hydroxybutanoate

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