3-alpha-Hydroxy-5-beta-Cholan-24-Oic Acid Methyl Ester
[CAS# 1249-75-8]

Identification

• Name: 3-alpha-Hydroxy-5-beta-Cholan-24-Oic Acid Methyl Ester
• Synonyms: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-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,8R,9S,10S,13R,14S,17R)-3-Hydroxy-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
• Molecular Formula: C₂₅H₄₂O₃
• Molecular Weight: 390.61
• CAS Registry Number: 1249-75-8
• EINECS: 215-002-9
• SMILES: [C@@]14(C)[C@H]([C@H]2[C@H](CC1)[C@]3(C)[C@H](CC2)C[C@@H](CC3)O)CC[C@@H]4[C@@H](CCC(OC)=O)C
• InChI: 1S/C25H42O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-22,26H,5-15H2,1-4H3/t16-,17-,18-,19+,20-,21+,22+,24+,25-/m1/s1
• InChIKey: YXZVCZUDUJEPPK-ULCLHEGSSA-N

Properties

• Density: 1.038g/cm³ (Cal.)
• Boiling point: 474.121°C at 760 mmHg (Cal.)
• Flash point: 177.465°C (Cal.)