Estriol 3-glucosiduronate
[CAS# 2479-91-6]

Identification

• Name: Estriol 3-glucosiduronate
• Synonyms: (2S,3S,4S,5R,6S)-6-[[(13S,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,6S)-6-[[(13S,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,6S)-6-[[(13S,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: 2479-91-6
• SMILES: [C@H]5(OC1=CC2=C(C=C1)C4C(CC2)C3C[C@H]([C@@H]([C@@]3(C)CC4)O)O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O5)C(=O)O
• 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-WTSDUJKYSA-N

Properties

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