Hyodeoxycholic Acid Methyl Ester
[CAS# 2868-48-6]

Identification

• Classification: API >> Digestive system medication >> Biliary medicine
• Name: Hyodeoxycholic Acid Methyl Ester
• Synonyms: (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoic Acid Methyl Ester; (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid Methyl Ester; H2517_Sigma
• Molecular Formula: C₂₅H₄₂O₄
• Molecular Weight: 406.60
• CAS Registry Number: 2868-48-6
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCC(OC)=O)C)(CC[C@@H]2[C@@]4([C@H]([C@@H](O)C3)C[C@H](O)CC4)C)C
• InChI: 1S/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18-,19+,20+,21+,22+,24-,25-/m1/s1
• InChIKey: BWDRDVHYVJQWBO-QWXHOCAMSA-N

Properties

• Density: 1.089g/cm³ (Cal.)
• Boiling point: 507.571°C at 760 mmHg (Cal.)
• Flash point: 162.13°C (Cal.)