Obeticholic Acid Triol Impurity
[CAS# 1537866-49-1]

Identification

• Name: Obeticholic Acid Triol Impurity
• Synonyms: (3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
• Molecular Formula: C₂₆H₄₆O₃
• Molecular Weight: 406.64
• CAS Registry Number: 1537866-49-1
• SMILES: CC[C@@H]1[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)CCCO)C)C)O

Properties

• Density: 1.0±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.525, Calc.^*
• Boiling Point: 527.6±25.0 ºC (760 mmHg), Calc.^*
• Flash Point: 222.1±17.8 ºC, Calc.^*

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