(Q104937127)

English

(3S,5S,6S,8S,10S,13S,14S,17R)-17-[(E,5R)-5,6-dimethylhept-2-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-(5,6-dimethylhept-2-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

1 reference

based on heuristic

inferred from SMILES

mass

414.349780712 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₆O₂

0 references

canonical SMILES

OC1CCC2(C3=CCC4(C)C(C(=CCC(C)C(C)C)C)CCC4C3CC(O)C2C1)C

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isomeric SMILES

C/C(=C\C[C@@H](C)C(C)C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C

0 references

found in taxon

Acanthaster planci

1 reference

stated in

5α-cholesta-9(11),17(20),24-triene-3β,6α-diol, a minor genin from the star fish acanthaster planci

Identifiers

InChI

InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h8,12,17-18,20-23,25-26,29-30H,7,9-11,13-16H2,1-6H3/b19-8+/t18-,20+,21+,22-,23+,25-,26+,27-,28-/m1/s1

0 references

InChIKey

BJJMHFSVVTWJFH-OKOFMWLPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BJJMHFSVVTWJFH-OKOFMWLPSA-N

(Q104937127)

(3S,5S,6S,8S,10S,13S,14S,17R)-17-[(E,5R)-5,6-dimethylhept-2-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

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Identifiers

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