(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-17-(2-sulfooxyacetyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Molecular Formula:
C21H32O6S
InChI: InChI=1/C21H32O6S/c1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(19(23)12-27-28(24,25)26)21(16,2)10-8-17(15)20/h3,14-18,22H,4-12H2,1-2H3,(H,24,25,26)/t14-,15-,16-,17-,18+,20-,21-/m0/s1/f/h24H
InChIKey: InChIKey=YNTXPDSHGMGJJG-WTPRDFSKDX
SMILES: CC12CCC3C(C1CCC2C(=O)COS(=O)(=O)O)CC=C4C3(CCC(C4)O)C
Names:
(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-17-(2-sulfooxyacetyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Registries:
PubChem CID 174681
PubChem ID 10258103
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