Ethynyl Estradiol 3-beta-D-Glucuronide (hydrate)

Ethynyl estradiol 3-beta-D-glucuronide is a metabolite of ethynyl estradiol (Cay-10006486) that can be detected in urine. It is used as a marker of estrogen contamination in fresh and saltwater.Formal Name: (17alpha)-17-hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-3-yl beta-D-glucopyranosiduronic acid, hydrate. Synonyms: 17alpha-Ethynylestradiol 3-Glucuronide. Molecular Formula: C26H32O8 . XH2O. Formula Weight: 472.5. Purity: >96%. Formulation: (Request formulation change), A solid. Solubility: DMSO: slightly soluble, Methanol: slightly soluble. SMILES: C[C@@]12[C@](CC[C@@]2(O)C#C)([H])[C@]3([H])CCC4=CC(O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)=CC=C4[C@@]3([H])CC1.O. InChi Code: InChI=1S/C26H32O8.H2O/c1-3-26(32)11-9-18-17-6-4-13-12-14(5-7-15(13)16(17)8-10-25(18,26)2)33-24-21(29)19(27)20(28)22(34-24)23(30)31,/h1,5,7,12,16-22,24,27-29,32H,4,6,8-11H2,2H3,(H,30,31),1H2/t16-,17-,18+,19+,20+,21-,22+,24-,25+,26+,/m1./s1. InChi Key: YIGSLFAEGRMMRT-KUIHHJHZSA-N.