(Q105179578)

English

(10R,13R)-17-(5-hydroxy-5-propan-2-ylhept-6-en-2-yl)-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

group of stereoisomers with the chemical formula C₂₉H₄₆O₂

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Statements

instance of

group of stereoisomers

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subclass of

stigmastan-type steroid

1 reference

inferred from

stigmastan-type steroid

mass

426.349780712 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆O₂

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canonical SMILES

O=C1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCC(O)(C=C)C(C)C)C2(C)CC1

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isomeric SMILES

C=CC(O)(CCC(C)C1CCC2C3CC=C4CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C

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found in taxon

Sargassum

1 reference

stated in

Antioxidant, cytotoxic, antitumor, and protective DNA damage metabolites from the red sea brown alga Sargassum sp.

Identifiers

InChI

InChI=1S/C29H46O2/c1-7-29(31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,19-20,23-26,31H,1,9-18H2,2-6H3/t20?,23?,24?,25?,26?,27-,28+,29?/m0/s1

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InChIKey

NHTXHNGOIBBPRD-BBQNQBQESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NHTXHNGOIBBPRD-BBQNQBQESA-N

(Q105179578)

(10R,13R)-17-(5-hydroxy-5-propan-2-ylhept-6-en-2-yl)-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Statements

Identifiers

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