(3alpha,5beta,6alpha,7beta)-3,6,7-Trihydroxycholan-24-Oic Acid
[CAS# 6830-03-1]

Identification

• Name: (3alpha,5beta,6alpha,7beta)-3,6,7-Trihydroxycholan-24-Oic Acid
• Molecular Formula: C₂₄H₄₀O₅
• Molecular Weight: 408.57
• CAS Registry Number: 6830-03-1
• SMILES: OC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CC[C@@H](O)C[C@H]4[C@@H](O)C3O
• InChI: 1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22?,23-,24-/m1/s1
• InChIKey: DKPMWHFRUGMUKF-JROIFPQISA-N

Properties

• Density: 1.185g/cm³ (Cal.)
• Boiling point: 565.688°C at 760 mmHg (Cal.)
• Flash point: 309.968°C (Cal.)