(Q105256070)

English

(3S,5R,6S,8S,10S,13S,14S)-10,13-dimethyl-17-(6-methylhept-5-en-2-ylidene)-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,6-diol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

9a,11a-dimethyl-1-(6-methylhept-5-en-2-ylidene)-2H,3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,11H-cyclopenta[a]phenanthrene-5,7-diol

1 reference

based on heuristic

inferred from SMILES

mass

398.318480584 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Cholesta-9(11),17(20),24-triene-3,6-diol, (3beta,5alpha,6alpha)-

1 reference

based on heuristic

inferred from InChI

(3S,5R,6S,8S,10S,13S,14S,17E)-10,13-dimethyl-17-(6-methylhept-5-en-2-ylidene)-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,6-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₂O₂

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canonical SMILES

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

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isomeric SMILES

CC(C)=CCCC(C)=C1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C

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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/C27H42O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h7,12,19-20,22,24-25,28-29H,6,8-11,13-16H2,1-5H3/t19-,20-,22-,24-,25-,26+,27+/m0/s1

0 references

InChIKey

SMOSOVIKLSZGCF-MOUFJFSKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SMOSOVIKLSZGCF-MOUFJFSKSA-N

(Q105256070)

(3S,5R,6S,8S,10S,13S,14S)-10,13-dimethyl-17-(6-methylhept-5-en-2-ylidene)-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,6-diol

Statements

Identifiers

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