7-Ethyl-chenodeoxycholic acid
[CAS# 124729-57-3]

Identification

• Name: 7-Ethyl-chenodeoxycholic acid
• Synonyms: (4R)-4-[(8R,9S,10S,13R,14S,17S)-7-Ethyl-3,7-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Valeric Acid; 3,7-Dihydroxy-7-Ethylcholanoic Acid; 7-Etcdc
• Molecular Formula: C₂₆H₄₄O₄
• Molecular Weight: 420.63
• CAS Registry Number: 124729-57-3
• 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)(CC)O
• InChI: 1S/C26H44O4/c1-5-26(30)15-17-14-18(27)10-12-24(17,3)21-11-13-25(4)19(7-8-20(25)23(21)26)16(2)6-9-22(28)29/h16-21,23,27,30H,5-15H2,1-4H3,(H,28,29)/t16-,17?,18?,19+,20+,21+,23+,24+,25-,26?/m1/s1
• InChIKey: MQLOTQXSYYOCHY-SGTVOBRCSA-N

Properties

• Density: 1.096g/cm³ (Cal.)
• Boiling point: 559.13°C at 760 mmHg (Cal.)
• Flash point: 306.007°C (Cal.)