(3alpha,7alpha,8xi)-3,7-Dihydroxycholan-24-Oic Acid
[CAS# 30634-99-2]

Identification

• Name: (3alpha,7alpha,8xi)-3,7-Dihydroxycholan-24-Oic Acid
• Synonyms: [474-25-9]; chenodeoxycholic acid; chenodeoxycholicacid
• Molecular Formula: C₂₄H₄₀O₄
• Molecular Weight: 392.57
• CAS Registry Number: 30634-99-2
• SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)C
• InChI: 1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15?,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
• InChIKey: RUDATBOHQWOJDD-BYRKYSOESA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 165-167°C (Expl.)
• Boiling point: 547.1±25.0°C at 760 mmHg (Cal.)
• Flash point: 298.8±19.7°C (Cal.)
• solubility: PRACTICALLY INSOLUBLE

Safety Data

• Safety Description: IRRITANT