(3R)-3-[(3R,5S,7R,10S,13R,17R)-3,7-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
[CAS# 86386-61-0]

Identification

• Name: (3R)-3-[(3R,5S,7R,10S,13R,17R)-3,7-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
• Synonyms: 24-Norchenodeoxycholic acid; 24-Norcholan-23-oic acid, 3,7-dihydroxy-, (3α,5β,7α)-; Nor-cdca
• Molecular Formula: C₂₃H₃₈O₄
• Molecular Weight: 378.55
• CAS Registry Number: 86386-61-0
• SMILES: O=C(O)C[C@H]([C@H]1CCC2[C@]1(C)CCC4C2[C@H](O)C[C@@H]3C[C@H](O)CC[C@@]34C)C
• InChI: 1S/C23H38O4/c1-13(10-20(26)27)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(24)11-14(22)12-19(21)25/h13-19,21,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14+,15-,16-,17?,18?,19-,21?,22+,23-/m1/s1
• InChIKey: QYYDXDSPYPOWRO-VWFFYNBXSA-N

Properties

• Density: 1.142g/cm³ (Cal.)
• Boiling point: 536.663°C at 760 mmHg (Cal.)
• Flash point: 292.434°C (Cal.)