5β-Cholanic acid-3,12-dione

• Catalog Number: ACM2958056
• Product Name: 5β-Cholanic acid-3,12-dione
• CAS: 2958-05-6
• Category: Steroidal Compounds
• Synonyms: 3,12-Dioxo-5beta-cholanoic acid; 3,12-dioxo-7-deoxycholic acid; EINECS 220-982-6; Cholic acid,dehydrodeoxy; Dehydrodeoxycholic acid; 3,12-dioxo-cholanic acid; 3,12-dioxocholanoic acid; 3,12-Diketo-5beta-cholanic acid
• IUPAC Name: (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoicacid
• Molecular Weight: 388.54
• Molecular Formula: C₂₄H₃₆O₄
• Canonical SMILES: CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2CCC4C3(CCC(=O)C4)C)C
• InChI Key: XNTYYYINMGRBQW-ZEZONBOOSA-N
• Boiling Point: 544.7ºC at 760mmHg
• Flash Point: 297.3ºC
• Density: 1.12g/cm³
• EC Number: 220-982-6
• Exact Mass: 388.26100