5β-Cholanic acid-3α,7α,12α-triol

• Catalog Number: ACM81254
• Product Name: 5β-Cholanic acid-3α,7α,12α-triol
• CAS: 81-25-4
• Category: Steroidal Compounds
• Synonyms: CHOLATE; Cholic acd; CHOLALIC ACID; AHR 3053-13C3; Cholic&Cyclosphorine; CHOLALIN; Cholic acid
• IUPAC Name: (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]pentanoicacid
• Molecular Weight: 408.57
• Molecular Formula: C₂₄H₄₀O₅
• Canonical SMILES: CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
• InChI Key: BHQCQFFYRZLCQQ-OELDTZBJSA-N
• Boiling Point: 545ºC
• Melting Point: 197-202ºC
• Flash Point: 321ºC
• Density: 1.184g/cm³
• Appearance: white to off-white crystalline powder
• EC Number: 201-337-8
• Exact Mass: 408.28800
• Hazard Statements: Xi
• Safety Description: S24/25
• Stability: Stable under normal temperatures and pressures.
• WGK Germany: 2