(Q105130356)

English

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

group of stereoisomers with the chemical formula C₂₉H₄₆O

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Statements

group of stereoisomers

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stigmastan-type steroid

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stigmastan-type steroid

410.354866092 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆O

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canonical SMILES

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

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isomeric SMILES

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

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Identifiers

InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,18-20,24-27H,8-17H2,1-6H3/b21-7+/t20-,24?,25?,26?,27?,28+,29-/m1/s1

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JKNOXDGSYQSJQT-QKLOKWSCSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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