17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide)

Molecular Formula: C₂₄H₃₁O₁₁S^-

InChI: InChI=1/C24H32O11S/c1-24-9-8-14-13-5-3-12(35-36(30,31)32)10-11(13)2-4-15(14)16(24)6-7-17(24)33-23-20(27)18(25)19(26)21(34-23)22(28)29/h3,5,10,14-21,23,25-27H,2,4,6-9H2,1H3,(H,28,29)(H,30,31,32)/p-1/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1/fC24H31O11S/h30H/q-1

InChIKey: InChIKey=VRMSCBRLZUCJBX-UNYYINBCDA
SMILES: CC12CCC3C(C1CCC2OC4C(C(C(C(O4)C(=O)[O-])O)O)O)CCC5=C3C=CC(=C5)OS(=O)(=O)O

Names:
    C11289
    (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(8S,9S,13S,14S,17S)-13-methyl-3-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]oxane-2-carboxylate
    17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide)

Registries:
    PubChem CID 443104
    PubChem ID 13464