17beta-Estradiol-3,17-disulfate

Molecular Formula: C18H24O8S2


InChI: InChI=1/C18H24O8S2/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24)/t14-,15-,16+,17+,18+/m1/s1/f/h19,22H

InChIKey: InChIKey=VPLAJGAMHNQZIY-JWYYBVFGDD
SMILES: CC12CCC3C(C1CCC2OS(=O)(=O)O)CCC4=C3C=CC(=C4)OS(=O)(=O)O

Names:
    Estradiol 3,17-disulfate
    Estradiol-3,17-disulfate
    Estra-1,3,5(10)-triene-3,17-diol (17beta)-, bis(hydrogen sulfate)
    (8S,9S,13S,14S,17S)-13-methyl-3,17-disulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
    17beta-Estradiol-3,17-disulfate
    3233-70-3

Registries:
    PubChem CID 66430
    PubChem ID 208514