Estradiol-3-glucuronide

Molecular Formula: C₂₄H₃₂O₈

InChI: InChI=1/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1/f/h29H

InChIKey: InChIKey=MUOHJTRCBBDUOW-NIBFDZSMDI
SMILES: [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc4cc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)ccc24

CAS number 15270-30-1

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

Registries:
    PubChem CID 440713
    Beilstein =1302617
    CAS 15270-30-1 (from NIST)
    ChEBI 36489
    Kegg C05503
    PubChem ID 10298642
    PubChem ID 7856