(Q105136366)

English

[6-hydroxy-3a-(hydroxymethyl)-5a,8,8,11a,13a-pentamethyl-9-oxo-3-propan-2-yl-2,3,4,5,5b,6,7,7a,10,11,13,13b-dodecahydro-1H-cyclopenta[a]chrysen-1-yl] acetate

group of stereoisomers with the chemical formula C₃₂H₅₀O₅

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group of stereoisomers

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514.3658247 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₀O₅

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canonical SMILES

O=C(OC1CC(C(C)C)C2(CO)CCC3(C)C4C(=CCC3(C)C12)C5(C)CCC(=O)C(C)(C)C5CC4O)C

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Identifiers

InChI

InChI=1S/C32H50O5/c1-18(2)21-15-23(37-19(3)34)27-31(8)12-9-20-26(30(31,7)13-14-32(21,27)17-33)22(35)16-24-28(4,5)25(36)10-11-29(20,24)6/h9,18,21-24,26-27,33,35H,10-17H2,1-8H3

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InChIKey

JWTMREQPCQEZLA-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105136366)

[6-hydroxy-3a-(hydroxymethyl)-5a,8,8,11a,13a-pentamethyl-9-oxo-3-propan-2-yl-2,3,4,5,5b,6,7,7a,10,11,13,13b-dodecahydro-1H-cyclopenta[a]chrysen-1-yl] acetate

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