Estriol Glucuronide
[CAS# 28808-07-3]

Identification

• Name: Estriol Glucuronide
• Synonyms: (2S,3S,4S,5R)-6-[[(8R,9S,13S,14S,16R,17R)-16,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R)-6-[[(8R,9S,13S,14S,16R,17R)-16,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R)-6-[[(8R,9S,13S,14S,16R,17R)-16,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₂₄H₃₂O₉
• Molecular Weight: 464.51
• CAS Registry Number: 28808-07-3
• SMILES: [C@@H]34CCC1=C(C=CC(=C1)OC2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)C(=O)O)[C@H]3CC[C@]5([C@H]4C[C@@H](O)[C@@H]5O)C
• InChI: 1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23?,24+/m1/s1
• InChIKey: UZKIAJMSMKLBQE-SUPAOECSSA-N

Properties

• Density: 1.489g/cm³ (Cal.)
• Boiling point: 722.255°C at 760 mmHg (Cal.)
• Flash point: 247.662°C (Cal.)