(3R)-3-[(5R,10S,13R,17R)-2,3,3-Trihydroxy-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]Butanoic Acid
[CAS# 139265-35-3]

Identification

• Name: (3R)-3-[(5R,10S,13R,17R)-2,3,3-Trihydroxy-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]Butanoic Acid
• Synonyms: (3R)-3-[(5R,10S,13R,17R)-2,3,3-Trihydroxy-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Butyric Acid; 24-Norcholan-23-Oic Acid, 3,7,12-Trihydroxy-, (3Alpha,5Beta,7Beta,12Alpha)-; 3-(3Alpha,7Beta,12Alpha-Trihydroxy-5Beta,17Beta-Androstan-17-Yl)Butanoic Acid
• Molecular Formula: C₂₃H₃₈O₅
• Molecular Weight: 394.55
• CAS Registry Number: 139265-35-3
• SMILES: [C@H](CC(=O)O)(C)[C@H]3CCC4C2CC[C@@H]1CC(C(C[C@@]1(C2CC[C@]34C)C)O)(O)O
• InChI: 1S/C23H38O5/c1-13(10-20(25)26)16-6-7-17-15-5-4-14-11-23(27,28)19(24)12-22(14,3)18(15)8-9-21(16,17)2/h13-19,24,27-28H,4-12H2,1-3H3,(H,25,26)/t13-,14-,15?,16-,17?,18?,19?,21-,22+/m1/s1
• InChIKey: UJNJKJCBHLCOMS-QTOAEDRXSA-N

Properties

• Density: 1.207g/cm³ (Cal.)
• Boiling point: 533.308°C at 760 mmHg (Cal.)
• Flash point: 290.407°C (Cal.)