Methyl (3alpha,7alpha,12alpha)-3-[(ethoxycarbonyl)oxy]-7,12-dihydroxycholan-24-oate
[CAS# 83861-28-3]

Identification

• Name: Methyl (3alpha,7alpha,12alpha)-3-[(ethoxycarbonyl)oxy]-7,12-dihydroxycholan-24-oate
• Synonyms: methyl 3α-[(ethoxycarbonyl)oxy]-7α,12α-dihydroxycholan-24-oate
• Molecular Formula: C₂₈H₄₆O₇
• Molecular Weight: 494.66
• CAS Registry Number: 83861-28-3
• EINECS: 281-089-5
• SMILES: CCOC(=O)O[C@@H]4CC[C@@]3(C)C(C[C@@H](O)[C@H]2[C@@H]1CC[C@H]([C@H](C)CCC(=O)OC)[C@@]1(C)[C@@H](O)C[C@@H]23)C4
• InChI: 1S/C28H46O7/c1-6-34-26(32)35-18-11-12-27(3)17(13-18)14-22(29)25-20-9-8-19(16(2)7-10-24(31)33-5)28(20,4)23(30)15-21(25)27/h16-23,25,29-30H,6-15H2,1-5H3/t16-,17?,18-,19-,20+,21+,22-,23+,25+,27+,28-/m1/s1
• InChIKey: KIRFLCKWEBLZMD-QSGOJPERSA-N

Properties

• Density: 1.165g/cm³ (Cal.)
• Boiling point: 597.392°C at 760 mmHg (Cal.)
• Flash point: 187.819°C (Cal.)