6-Vinyl Chenodeoxycholic Acid
[CAS# 1908444-27-8]

Identification

• Name: 6-Vinyl Chenodeoxycholic Acid
• Synonyms: (4R)-4-[(3R,5R,6Z,7S,8S,9S,10R,13R,14S,17R)-6-ethylidene-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
• Molecular Formula: C₂₆H₄₂O₄
• Molecular Weight: 418.61
• CAS Registry Number: 1908444-27-8
• SMILES: C/C=C1/[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O

Properties

• Density: 1.1±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.574, Calc.^*
• Boiling Point: 570.7±40.0 °C (760 mmHg), Calc.^*
• Flash Point: 313.0±23.8 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.