Glyco Obeticholic Acid
[CAS# 863239-60-5]

Identification

• Name: Glyco Obeticholic Acid
• Synonyms: 3a,7a-dihydroxy-6a ethyl-5b-cholan-24-ol ; (3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-((R)-5-hydroxypentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
• Molecular Formula: C₂₈H₄₇NO₅
• Molecular Weight: 477.68
• CAS Registry Number: 863239-60-5
• 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)CCC(=O)NCC(=O)O)C)C)O

Properties

• Density: 1.1±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.534, Calc.^*
• Boiling Point: 666.4±40.0 ºC (760 mmHg), Calc.^*
• Flash Point: 356.9±27.3 ºC, Calc.^*

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

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302+H312+H332-H315-H319
• Precautionary Statements: P261-P271-P280-P302+P352-P305+P351+P338