16-Oxoestradiol 3-sulfate

Molecular Formula: C₁₈H₂₂O₆S

InChI: InChI=1/C18H22O6S/c1-18-7-6-13-12-5-3-11(24-25(21,22)23)8-10(12)2-4-14(13)15(18)9-16(19)17(18)20/h3,5,8,13-15,17,20H,2,4,6-7,9H2,1H3,(H,21,22,23)/t13-,14-,15+,17+,18+/m1/s1/f/h21H

InChIKey: InChIKey=QJFFNUBKYWXXCO-SQCLFYKADR
SMILES: CC12CCC3C(C1CC(=O)C2O)CCC4=C3C=CC(=C4)OS(=O)(=O)O

Names:
    Estra-1,3,5(10)-trien-16-one, 17-hydroxy-3-(sulfooxy)-, (17beta)-
    (8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-16-oxo-3-sulfooxy-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene
    16-OE-3-S
    16-Oxoestradiol 3-sulfate
    17916-85-7

Registries:
    PubChem CID 66844
    PubChem ID 208940