Estradiol-17alpha 3-D-glucuronoside

Molecular Formula: C₂₅H₃₄O₇

InChI: InChI=1/C25H34O7/c1-12-20(27)22(23(29)30)32-24(21(12)28)31-14-4-6-15-13(11-14)3-5-17-16(15)9-10-25(2)18(17)7-8-19(25)26/h4,6,11-12,16-22,24,26-28H,3,5,7-10H2,1-2H3,(H,29,30)/t12-,16+,17+,18-,19+,20-,21+,22-,24+,25-/m0/s1/f/h29H

InChIKey: InChIKey=UABBRQQTGSRYAO-SVTLXAHODK
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](C)[C@H]5O)C(O)=O)ccc24

Names:
    CHEBI:15822
    Estradiol-17alpha 3-D-glucuronoside
    estradiol-17α 3-D-glucuronoside
    (2S,3S,4S,5R,6S)-3,5-dihydroxy-6-[[(8S,9S,13S,14S,17R)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methyl-oxane-2-carboxylic acid
    17alpha-estradiol 3-glucuronide

Registries:
    PubChem CID 440288
    ChEBI 15822
    Kegg C04300
    PubChem ID 14717689
    PubChem ID 6959