5β-Cholanic acid-3α,7α,12α-triol methyl ester

• CAS: 1448-36-8
• Catalog Number: ACM1448368
• Category: Steroidal Compounds
• Molecular Weight: 422.61
• Molecular Formula: C₂₅H₄₂O₅
• Synonyms: CHOLIC ACID METHYL ESTER; Methyl Cholate; Cholic acid methyl ester
• IUPAC Name: methyl(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
• Canonical SMILES: CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
• InChI Key: DLYVTEULDNMQAR-SRNOMOOLSA-N
• Boiling Point: 541.6ºC at 760mmHg
• Melting Point: 155ºC
• Flash Point: 174.9ºC
• Density: 1.141g/cm³
• Appearance: Off-White Solid
• EC Number: 215-903-7
• Exact Mass: 422.30300
• Hazard Statements: Xi: Irritant
• Safety Description: S22-S24/25