Homoursodeoxycholic Acid
[CAS# 102044-28-0]

Identification

• Name: Homoursodeoxycholic Acid
• Synonyms: Hudca; Homoursodeoxycholic Acid; Cholane-24-Carboxylic Acid, 3,7-Dihydroxy-, (3Alpha,5Beta,7Beta)-
• Molecular Formula: C₂₅H₄₂O₄
• Molecular Weight: 406.60
• CAS Registry Number: 102044-28-0
• SMILES: [C@H]1(CC[C@]3([C@@H](C1)C[C@@H]([C@H]4[C@@H]2CC[C@H]([C@@H](CCCC(=O)O)C)[C@@]2(C)CC[C@H]34)O)C)O
• InChI: 1S/C25H42O4/c1-15(5-4-6-22(28)29)18-7-8-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,4-14H2,1-3H3,(H,28,29)/t15-,16+,17-,18-,19+,20+,21+,23+,24+,25-/m1/s1
• InChIKey: ZKKGBMOMGYRROF-ZQMFMVRBSA-N

Properties

• Density: 1.116g/cm³ (Cal.)
• Boiling point: 557.612°C at 760 mmHg (Cal.)
• Flash point: 305.09°C (Cal.)