estradiol 3-sulphate

Molecular Formula: C18H24O5S


InChI: InChI=1/C18H24O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,17+,18+/m1/s1/f/h20H

InChIKey: InChIKey=QZIGLSSUDXBTLJ-UELNCLFHDZ
SMILES: [H][[email protected]]12CC[[email protected]]3(C)[[email protected]@H](O)CC[[email protected]@]3([H])[[email protected]]1([H])CCc4cc(OS(O)(=O)=O)ccc24

CAS number 481-96-9

Names:
    C08357
    estradiol 3-sulphate
    Estradiol-17beta 3-sulfate
    estradiol-3-sulfate
    (8S,9S,13S,14S,17S)-17-hydroxy-13-methyl-3-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
    17beta-estradiol 3-sulfate

Registries:
    PubChem CID 66416
    Beilstein =3220773
    CAS 481-96-9 (from NIST)
    ChEBI 4866
    Kegg C08357
    PubChem ID 10554