Methyl 3,7-dioxocholan-24-oate
[CAS# 77060-26-5]

Identification

• Name: Methyl 3,7-dioxocholan-24-oate
• Molecular Formula: C₂₅H₃₈O₄
• Molecular Weight: 402.57
• CAS Registry Number: 77060-26-5
• SMILES: COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CCC(=O)CC4CC3=O
• InChI: 1S/C25H38O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-16,18-20,23H,5-14H2,1-4H3/t15-,16?,18-,19+,20+,23+,24+,25-/m1/s1
• InChIKey: UZRRNRRCPZZPNY-ZECRIGHZSA-N

Properties

• Density: 1.081g/cm³ (Cal.)
• Boiling point: 503.773°C at 760 mmHg (Cal.)
• Flash point: 214.903°C (Cal.)