Norcholic Acid
[CAS# 60696-62-0]

Identification

• Name: Norcholic Acid
• Synonyms: 3-[(3R,5S,7R,10S,12S,13R,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]Butyric Acid; 24-Norcholan-23-Oic Acid, 3,7,12-Trihydroxy-, (3Alpha,5Beta,7Alpha,12Alpha)-; Norcholate
• Molecular Formula: C₂₃H₃₈O₅
• Molecular Weight: 394.55
• CAS Registry Number: 60696-62-0
• SMILES: [C@]34(C(C1C([C@@]2([C@H](C[C@H]1O)C[C@H](O)CC2)C)C[C@@H]3O)CC[C@@H]4C(CC(=O)O)C)C
• InChI: 1S/C23H38O5/c1-12(8-20(27)28)15-4-5-16-21-17(11-19(26)23(15,16)3)22(2)7-6-14(24)9-13(22)10-18(21)25/h12-19,21,24-26H,4-11H2,1-3H3,(H,27,28)/t12?,13-,14+,15+,16?,17?,18+,19-,21?,22-,23+/m0/s1
• InChIKey: SHUYNJFEXPRUGR-JYBRCEJXSA-N

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 574.514°C at 760 mmHg (Cal.)
• Flash point: 315.3°C (Cal.)