Methyl Cholate
Request a quote| Catalog Number | ACM1448368-1 |
| Product Name | Methyl Cholate |
| CAS Number | 1448-36-8 |
| Structure |  |
| 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 |
| Synonyms | Cholic acid methyl ester |
| Molecular Weight | 422.61 |
| Molecular Formula | C25H42O5 |
| Canonical 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 |
| InChIKey | 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 |
| Physical State | Freezer |
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