methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate structure
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Common Name | methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate | ||
|---|---|---|---|---|
| CAS Number | 10538-58-6 | Molecular Weight | 404.58300 | |
| Density | 1.085g/cm3 | Boiling Point | 505.7ºC at 760mmHg | |
| Molecular Formula | C25H40O4 | Melting Point | 138-141°C | |
| MSDS | N/A | Flash Point | 162.2ºC | |
| Name | Methyl (5β,12α)-12-hydroxy-3-oxocholan-24-oate |
|---|---|
| Synonym | More Synonyms |
| Density | 1.085g/cm3 |
|---|---|
| Boiling Point | 505.7ºC at 760mmHg |
| Melting Point | 138-141°C |
| Molecular Formula | C25H40O4 |
| Molecular Weight | 404.58300 |
| Flash Point | 162.2ºC |
| Exact Mass | 404.29300 |
| PSA | 63.60000 |
| LogP | 4.77450 |
| Vapour Pressure | 2.3E-06mmHg at 25°C |
| Index of Refraction | 1.495 |
| InChIKey | LOJPGRHPJBGMMF-CNZSLQMUSA-N |
| SMILES | COC(=O)CCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CC(O)C12C |
| Storage condition | 2-8°C |
| Precursor 0 | |
|---|---|
| DownStream 2 | |
| methyl 12-thiatridecanoate |
| 11-methylsulfanyl-undecanoic acid methyl ester |
| Methyl 3-Oxo-desoxycholate |
| 3-oxo deoxycholic acid methyl ester |
| 12-thiatridecanoic acid methyl ester |
| 11-Methylmercapto-undecansaeure-methylester |