5β-Cholanic acid-3,6-dione

• Catalog Number: ACM6868731
• Product Name: 5β-Cholanic acid-3,6-dione
• CAS: 6868-73-1
• Category: Steroidal Compounds
• Synonyms: 3,6-DIKETOCHOLANIC ACID;5-BETA-CHOLANIC ACID-3,6-DIONE;3,6-dioxo-5-beta-cholan-24-oic acid;hyodehydrodeoxycholic acid
• IUPAC Name: (4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxo-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
• Molecular Weight: 388.54
• Molecular Formula: C₂₄H₃₆O₄
• Canonical SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(=O)C4)C)C
• InChI Key: AWINBLVINXVKTE-FSILYXOFSA-N
• Boiling Point: 544.7ºC at 760 mmHg
• Flash Point: 297.3ºC
• Density: 1.12g/cm³
• Exact Mass: 388.26100
• H-Bond Acceptor: 4
• H-Bond Donor: 1