Estradiol-3-Glucuronide
[CAS# 15270-30-1]

Identification

• Name: Estradiol-3-Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[(13S,17S)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[[(13S,17S)-17-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-2-Tetrahydropyrancarboxylic Acid; 17Alpha-Estradiol-3-Glucuronide
• Molecular Formula: C₂₄H₃₂O₈
• Molecular Weight: 448.51
• CAS Registry Number: 15270-30-1
• SMILES: [C@H]5(OC1=CC2=C(C=C1)C4C(CC2)C3CC[C@@H]([C@@]3(C)CC4)O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O5)C(=O)O
• InChI: 1S/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-/m0/s1
• InChIKey: MUOHJTRCBBDUOW-RNFKDHMMSA-N