5β-Cholanic acid-3α,6α,7α-triol

• CAS: 547-75-1
• Catalog Number: ACM547751
• Category: Steroidal Compounds
• Molecular Weight: 408.57
• Molecular Formula: C₂₄H₄₀O₅
• Synonyms: LAMBDA-MURICHOLIC ACID;HYOCHOLIC ACID;GAMMA MURICHOLIC;3-ALPHA,6-ALPHA,7-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OIC ACID;3A,6A-7A-TRIHYDROXY-5B-CHOLAN-24-OIC ACID;5B-CHOLAN-24-OIC ACID-3A,6A,7A-TRIOL;5-BETA-CHOLAN-24-OIC ACID-3-ALPHA,6-ALPHA,7-ALPHA-TRIOL;5-B
• IUPAC Name: (4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-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]pentanoic acid
• Canonical SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C
• InChI Key: DKPMWHFRUGMUKF-KWXDGCAGSA-N
• Boiling Point: 565.7ºC at 760 mmHg
• Melting Point: 188-189ºC
• Flash Point: 310ºC
• Density: 1.184 g/cm³
• EC Number: 208-935-8
• Exact Mass: 408.28800
• H-Bond Acceptor: 5
• H-Bond Donor: 4