estrone sulphate

Molecular Formula: C18H22O5S


InChI: InChI=1/C18H22O5S/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/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1/f/h20H

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

CAS number 481-97-0

Names:
    estrone hydrogen sulfate
    estrone sulfate
    estrone sulphate
    Estrone 3-sulfate
    estrone 3-sulfate
    Estrone 3-sulfate
    estrone 3-sulfate
    Prestwick0_000688
    (8S,9S,13S,14S)-13-methyl-17-oxo-3-sulfooxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
    3-hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulphate

Registries:
    PubChem CID 3001028
    Beilstein =2399598
    CAS 481-97-0 (from NIST)
    ChEBI 17474
    Kegg C02538
    PubChem ID 11466716
    PubChem ID 5545