2,3,7,12-Tetrahydroxycholan-24-Oate
[CAS# 60696-60-8]

Identification

• Name: 2,3,7,12-Tetrahydroxycholan-24-Oate
• Molecular Formula: C₂₄H₃₉O₆
• Molecular Weight: 423.56
• CAS Registry Number: 60696-60-8
• SMILES: [O-]C(=O)CCC(C)C2CCC1C3C(O)CC4CC(O)C(O)CC4(C)C3CC(O)C12C
• InChI: 1S/C24H40O6/c1-12(4-7-21(29)30)14-5-6-15-22-16(10-20(28)24(14,15)3)23(2)11-19(27)17(25)8-13(23)9-18(22)26/h12-20,22,25-28H,4-11H2,1-3H3,(H,29,30)/p-1
• InChIKey: IMMADCCLTPCOKH-UHFFFAOYSA-M

Properties

• Boiling point: 602.465°C at 760 mmHg (Cal.)
• Flash point: 332.186°C (Cal.)