(Q105253663)

English

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

group of stereoisomers with the chemical formula C₂₉H₄₆O₃

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Statements

instance of

group of stereoisomers

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subclass of

stigmastan-type steroid

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inferred from

stigmastan-type steroid

mass

442.34469533199996 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₄₆O₃

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canonical SMILES

O=C1C=C2CCC3C(CCC4(C)C(CCC34)C(C)CCC(OO)(C=C)C(C)C)C2(C)CC1

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isomeric SMILES

C=CC(CC[C@@H](C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C)(OO)C(C)C

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Identifiers

InChI

InChI=1S/C29H46O3/c1-7-29(32-31,19(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/h7,18-20,23-26,31H,1,8-17H2,2-6H3/t20-,23?,24?,25?,26?,27+,28-,29?/m1/s1

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InChIKey

SICXMLBXUWOBEI-UAXZRMABSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

SICXMLBXUWOBEI-UAXZRMABSA-N

1 reference

(Q105253663)

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

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Identifiers

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