(Q104969754)

English

(3S,5S,6R,9S,10S,13R,14R,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,6,9-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10,13-Dimethyl-17-(6-methylhept-3-en-2-yl)-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,6,9-triol

1 reference

based on heuristic

inferred from SMILES

mass

416.329045268 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₄O₃

0 references

canonical SMILES

OC1C=C2C3CCC(C(C=CCC(C)C)C)C3(C)CCC2(O)C4(C)CCC(O)CC14

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isomeric SMILES

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

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found in taxon

Dendronephthya gigantea

1 reference

stated in

Polyhydroxylated sterols from the octocoral Dendronephthya gigantea

Identifiers

InChI

InChI=1S/C27H44O3/c1-17(2)7-6-8-18(3)20-9-10-21-22-16-24(29)23-15-19(28)11-12-26(23,5)27(22,30)14-13-25(20,21)4/h6,8,16-21,23-24,28-30H,7,9-15H2,1-5H3/b8-6+/t18-,19+,20-,21+,23-,24-,25-,26+,27-/m1/s1

0 references

InChIKey

CTEZGKJAIWCKTQ-ZQORHGTKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CTEZGKJAIWCKTQ-ZQORHGTKSA-N

(Q104969754)

(3S,5S,6R,9S,10S,13R,14R,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,6,9-triol

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Identifiers

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