(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-12-Oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]Pentanoic Acid
[CAS# 5130-29-0]

Identification

• Name: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-12-Oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]Pentanoic Acid
• Synonyms: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-12-Keto-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Valeric Acid; 3Alpha-Hydroxy-12-Oxo-5Beta-Cholan-24-Oic Acid; Lmst04010155
• Molecular Formula: C₂₄H₃₈O₄
• Molecular Weight: 390.56
• CAS Registry Number: 5130-29-0
• SMILES: [C@]24([C@H]([C@@H]1CC[C@H]3[C@@]([C@H]1CC2=O)(CC[C@@H](O)C3)C)CC[C@@H]4[C@@H](CCC(=O)O)C)C
• InChI: 1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,23+,24-/m1/s1
• InChIKey: CVNYHSDFZXHMMJ-VPUMZWJWSA-N

Properties

• Density: 1.124g/cm³ (Cal.)
• Boiling point: 545.885°C at 760 mmHg (Cal.)
• Flash point: 298.005°C (Cal.)