Methyl Cholate

• Synonyms: Cholic acid methyl ester
• IUPAC Name: methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
• Molecular Weight: 422.61
• Molecular Formula: C25H42O5
• SMILES: CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
• InChI: InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
• InChI Key: DLYVTEULDNMQAR-SRNOMOOLSA-N
• Boiling Point: 541.6±50.0 °C (Predicted)
• Melting Point: 155-156 °C
• Purity: 97%
• Density: 1.141±0.06 g/cm³ (Predicted)
• Solubility: Insoluble in water, soluble in medium polarity organic solvents.
• Appearance: Off-white solid
• Storage: Solid
• Exact Mass: 422.30322444
• Physical State: Freezer
• Subcategory: Cholesterols