(Q104991629)

English

[6-hydroxy-17-(2-hydroxy-6-methyl-4-oxoheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

group of stereoisomers with the chemical formula C₂₇H₄₄O₇S

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instance of

group of stereoisomers

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512.280774748 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₄O₇S

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canonical SMILES

O=C(CC(C)C)CC(O)(C)C1CCC2C3C(=CCC21C)C4(C)CCC(OS(=O)(=O)O)CC4C(O)C3

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Identifiers

InChI

InChI=1S/C27H44O7S/c1-16(2)12-17(28)15-27(5,30)24-7-6-20-19-14-23(29)22-13-18(34-35(31,32)33)8-10-25(22,3)21(19)9-11-26(20,24)4/h9,16,18-20,22-24,29-30H,6-8,10-15H2,1-5H3,(H,31,32,33)

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InChIKey

DYWMNMJQHRHTGH-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104991629)

[6-hydroxy-17-(2-hydroxy-6-methyl-4-oxoheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

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