Methyl 3,7-Dihydroxycholan-24-Oate
[CAS# 10538-55-3]

Identification

• Name: Methyl 3,7-Dihydroxycholan-24-Oate
• Synonyms: 5α-Cholan-24-oic acid, 3α,7α-dihydroxy-, methyl ester; 5α-Cholan-24-oic acid, 3β,7α-dihydroxy-, methyl ester; 5β-Cholan-24-oic acid, 3α,7α-dihydroxy-, methyl ester
• Molecular Formula: C₂₅H₄₂O₄
• Molecular Weight: 406.60
• CAS Registry Number: 10538-55-3
• SMILES: O=C(OC)CCC(C4C3(C(C1C(C2(C(CC1O)CC(O)CC2)C)CC3)CC4)C)C
• InChI: 1S/C25H42O4/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/h15-21,23,26-27H,5-14H2,1-4H3
• InChIKey: GRQROVWZGGDYSW-UHFFFAOYSA-N

Properties

• Density: 1.089g/cm³ (Cal.)
• Boiling point: 507.571°C at 760 mmHg (Cal.)
• Flash point: 162.13°C (Cal.)
• Refractive index: 1.526 (Cal.)