7-Propyl-chenodeoxycholic acid
[CAS# 124729-58-4]

Identification

• Name: 7-Propyl-chenodeoxycholic acid
• Synonyms: (4R)-4-[(8R,9S,10S,13R,14S,17S)-3,7-Dihydroxy-10,13-Dimethyl-7-Propyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Valeric Acid; 7-N-Propyl-Chenodeoxycholic Acid; 7-N-Propylursodeoxycholic Acid
• Molecular Formula: C₂₇H₄₆O₄
• Molecular Weight: 434.66
• CAS Registry Number: 124729-58-4
• SMILES: [C@@H]23C(CC1CC(CC[C@@]1([C@H]2CC[C@]4([C@H]3CC[C@H]4[C@@H](CCC(=O)O)C)C)C)O)(CCC)O
• InChI: 1S/C27H46O4/c1-5-12-27(31)16-18-15-19(28)10-13-25(18,3)22-11-14-26(4)20(7-8-21(26)24(22)27)17(2)6-9-23(29)30/h17-22,24,28,31H,5-16H2,1-4H3,(H,29,30)/t17-,18?,19?,20+,21+,22+,24+,25+,26-,27?/m1/s1
• InChIKey: BOJLONLMSDGVHC-UXDDTGMXSA-N

Properties

• Density: 1.086g/cm³ (Cal.)
• Boiling point: 569.758°C at 760 mmHg (Cal.)
• Flash point: 312.427°C (Cal.)