(Q105026058)

English

(3-β)-stigmasta-5,22-dien-3-ol

group of stereoisomers with the chemical formula C₂₉H₄₈O

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Statements

group of stereoisomers

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stigmastan-type steroid

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stigmastan-type steroid

412.370516156 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₈O

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canonical SMILES

OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C=CC(CC)C(C)C)C)C2(C)CC1

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isomeric SMILES

CCC(/C=C/C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C

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based on heuristic

inferred from InChI

Calotropis procera

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New ursane-type triterpenes from the root bark of Calotropis procera

Identifiers

InChI=1S/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+

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HCXVJBMSMIARIN-CMDGGOBGSA-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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