Methyl Desoxycholate
[CAS# 3245-38-3]

Identification

• Name: Methyl Desoxycholate
• Synonyms: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoic Acid Methyl Ester; (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeric Acid Methyl Ester; Timtec1_001899
• Molecular Formula: C₂₅H₄₂O₄
• Molecular Weight: 406.60
• CAS Registry Number: 3245-38-3
• EINECS: 221-819-1
• SMILES: [C@@]14(C)[C@H]([C@H]2[C@H](C[C@@H]1O)[C@]3(C)[C@H](CC2)C[C@@H](CC3)O)CC[C@@H]4[C@@H](CCC(OC)=O)C
• InChI: 1S/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,22+,24+,25-/m1/s1
• InChIKey: ZHUOOEGSSFNTNP-JMKDMENQSA-N

Properties

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