Ethyl 3,7,12-Trioxo-5beta-cholan-24-Oate
[CAS# 52718-49-7]

Identification

• Name: Ethyl 3,7,12-Trioxo-5beta-cholan-24-Oate
• Synonyms: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-3,7,12-Trioxo-1,2,4,5,6,8,9,11,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Pentanoic Acid Ethyl Ester; (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-3,7,12-Triketo-10,13-Dimethyl-1,2,4,5,6,8,9,11,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Valeric Acid Ethyl Ester
• Molecular Formula: C₂₆H₃₈O₅
• Molecular Weight: 430.58
• CAS Registry Number: 52718-49-7
• EINECS: 258-126-9
• SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@H](CC1=O)CC(=O)CC2)C)CC3=O)CC[C@@H]4[C@@H](CCC(=O)OCC)C)C
• InChI: 1S/C26H38O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-16,18-20,24H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,24+,25+,26-/m1/s1
• InChIKey: JOLKBUSRBZYZEH-PYGYYAGESA-N

Properties

• Density: 1.118g/cm³ (Cal.)
• Boiling point: 547.817°C at 760 mmHg (Cal.)
• Flash point: 233.437°C (Cal.)