5β-Cholanic acid-3-one

• Catalog Number: ACM1553566
• Product Name: 5β-Cholanic acid-3-one
• CAS: 1553-56-6
• Category: Steroidal Compounds
• Synonyms: DEHYDROLITHOCHOLIC ACID;5BETA-CHOLANIC ACID-3-ONE;3-KETOCHOLANIC ACID;3-KETO-5BETA-CHOLANIC ACID;(5-beta)-cholan-24-oicaci;3-ketolithocholicacid;3-oxo-5-beta-cholan-24-oicaci;3-oxo-5-beta-cholan-24-oicacid
• IUPAC Name: (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoicacid
• Molecular Weight: 374.56
• Molecular Formula: C₂₄H₃₈O₃
• Canonical SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C
• InChI Key: KIQFUORWRVZTHT-OPTMKGCMSA-N
• Boiling Point: 509.3ºC
• Flash Point: 275.9ºC
• Density: 1.069 g/cm³
• Exact Mass: 374.28200