(Q104972262)

English

(3S,5R,7R,9R,10S,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-7-methoxy-10,13-dimethyl-4-methylidene-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-(5,6-Dimethylheptan-2-yl)-7-methoxy-10,13-dimethyl-4-methylidene-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₂

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canonical SMILES

OC1C(=C)C2CC(OC)C3=C4CCC(C(C)CCC(C)C(C)C)C4(C)CCC3C2(C)CC1

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isomeric SMILES

C=C1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](OC)C1=C3CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@@H]12

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found in taxon

Theonella swinhoei

1 reference

stated in

Structures of nine oxygenated 4-methylene sterols from Hachijo marine sponge Theonella swinhoei

Identifiers

InChI

InChI=1S/C30H50O2/c1-18(2)19(3)9-10-20(4)22-11-12-23-28-24(13-15-29(22,23)6)30(7)16-14-26(31)21(5)25(30)17-27(28)32-8/h18-20,22,24-27,31H,5,9-17H2,1-4,6-8H3/t19-,20-,22-,24+,25+,26+,27-,29-,30-/m1/s1

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InChIKey

CYDWXUDCTGPHJW-BKQUMLASSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CYDWXUDCTGPHJW-BKQUMLASSA-N

1 reference

(Q104972262)

(3S,5R,7R,9R,10S,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-7-methoxy-10,13-dimethyl-4-methylidene-1,2,3,5,6,7,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

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Identifiers

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