Cholanic Acid
[CAS# 25312-65-6]

Identification

• Name: Cholanic Acid
• Synonyms: 4-[(8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid; Cholan-24-Oic Acid
• Molecular Formula: C₂₄H₄₀O₂
• Molecular Weight: 360.58
• CAS Registry Number: 25312-65-6
• EINECS: 246-816-2
• SMILES: [C@@]12(CCCCC1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(C)CCC(O)=O)C)C
• InChI: 1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16?,17?,18-,19+,20-,21-,23-,24+/m0/s1
• InChIKey: RPKLZQLYODPWTM-FOEWTTMCSA-N

Properties

• Density: 1.019g/cm³ (Cal.)
• Boiling point: 473.617°C at 760 mmHg (Cal.)
• Flash point: 208.744°C (Cal.)