1-O-(3,7-Dihydroxy-24-oxocholan-24-yl)hexopyranuronic acid
[CAS# 208038-28-2]

Identification

• Name: 1-O-(3,7-Dihydroxy-24-oxocholan-24-yl)hexopyranuronic acid
• Synonyms: 1-O-(3,7-Dihydroxy-24-oxocholan-24-yl)hexopyranuronic acid; Hexopyranuronic acid, 1-O-(3,7-dihydroxy-24-oxocholan-24-yl)-; URSODEOXYCHOLIC ACID ACYL-Î’-D-GLUCURONIDE
• Molecular Formula: C₃₀H₄₈O₁₀
• Molecular Weight: 568.70
• CAS Registry Number: 208038-28-2
• SMILES: CC(CCC(=O)OC1C(C(C(C(O1)C(=O)O)O)O)O)C2CCC3C2(CCC4C3C(CC5C4(CCC(C5)O)C)O)C
• InChI: 1S/C30H48O10/c1-14(4-7-21(33)39-28-25(36)23(34)24(35)26(40-28)27(37)38)17-5-6-18-22-19(9-11-30(17,18)3)29(2)10-8-16(31)12-15(29)13-20(22)32/h14-20,22-26,28,31-32,34-36H,4-13H2,1-3H3,(H,37,38)
• InChIKey: ZTJBLIAPAIPNJE-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 725.5±60.0°C at 760 mmHg (Cal.)
• Flash point: 230.2±26.4°C (Cal.)
• Refractive index: 1.593 (Cal.)