Ursodeoxycholic Acid 7-Oleyl Ester
[CAS# 85572-47-0]

Identification

• Name: Ursodeoxycholic Acid 7-Oleyl Ester
• Synonyms: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17S)-3-Hydroxy-10,13-Dimethyl-7-[(Z)-1-Oxooctadec-9-Enoxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoic Acid; (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17S)-3-Hydroxy-10,13-Dimethyl-7-[(Z)-Octadec-9-Enoyl]Oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid; Cholan-24-Oic Acid, 3-Hydroxy-7-((1-Oxo-9-Octadecenyl)Oxy)-, (3Alpha,5Beta,7Beta(Z))-
• Molecular Formula: C₄₂H₇₂O₅
• Molecular Weight: 657.03
• CAS Registry Number: 85572-47-0
• SMILES: [C@H]23[C@H]1[C@@]([C@@H](CC1)[C@@H](CCC(=O)O)C)(CC[C@@H]2[C@@]4([C@H](C[C@@H]3OC(=O)CCCCCCC\C=C/CCCCCCCC)C[C@H](O)CC4)C)C
• InChI: 1S/C42H72O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39(46)47-37-30-32-29-33(43)25-27-41(32,3)36-26-28-42(4)34(22-23-35(42)40(36)37)31(2)21-24-38(44)45/h12-13,31-37,40,43H,5-11,14-30H2,1-4H3,(H,44,45)/b13-12-/t31-,32+,33-,34+,35+,36+,37+,40+,41+,42-/m1/s1
• InChIKey: GFBWAJZDUSICON-NEVFELTPSA-N

Properties

• Density: 1.043g/cm³ (Cal.)
• Boiling point: 720.209°C at 760 mmHg (Cal.)
• Flash point: 204.316°C (Cal.)