Ethynylestradiol sulphate

Molecular Formula: C20H24O5S


InChI: InChI=1/C20H24O5S/c1-3-20(21)11-9-18-17-6-4-13-12-14(25-26(22,23)24)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21H,4,6,8-11H2,2H3,(H,22,23,24)/t16-,17-,18+,19+,20+/m1/s1/f/h22H

InChIKey: InChIKey=WLGIWVFFGMPRLM-UOCIXUMZDT
SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OS(=O)(=O)O

Names:
    Ethinylestradiol-3-sulfate
    Ethinyl estradiol sulfate
    Ethinyl estradiol sulfonate
    Ethynylestradiol sulphate
    Ethynylestradiol-3-sulfate
    (8S,9S,13S,14S,17S)-17-ethynyl-17-hydroxy-13-methyl-3-sulfooxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
    19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, 3-(hydrogen sulfate), (17alpha)-
    24560-70-1

Registries:
    PubChem CID 68575
    PubChem ID 210699