(Q105137613)

English

(5R,9R,10R,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-4-methylidene-2,5,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

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)-10,13-dimethyl-4-methylidene-2,5,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

1 reference

1 reference

410.354866092 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆O

0 references

canonical SMILES

O=C1C(=C)C2CCC3=C4CCC(C(C)CCC(C)C(C)C)C4(C)CCC3C2(C)CC1

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isomeric SMILES

C=C1C(=O)CC[C@@]2(C)[C@H]1CCC1=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

2 references

stated in

Marine Natural Products. XXX. Two New 3-Keto-4-methylene Steroids, Theonellasterone and Conicasterone, and a Diels-Alder Type Dimeric Steroid Bistheonellasterone, from the Okinawan Marine Sponge Theonella swinhoei.

stated in

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

Identifiers

InChI

InChI=1S/C29H46O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18-20,23-24,26H,5,8-17H2,1-4,6-7H3/t19-,20-,23-,24+,26+,28-,29+/m1/s1

0 references

InChIKey

JZUYDQLGXDUUKE-ZKDZLAFLSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

JZUYDQLGXDUUKE-ZKDZLAFLSA-N

1 reference

(Q105137613)

(5R,9R,10R,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-4-methylidene-2,5,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

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