Introduction：Basic information about CAS 10538-59-7|7-ketolithocholic Methyl ester, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 7-ketolithocholic Methyl ester |
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| CAS Number | 10538-59-7 | Molecular Weight | 404.583 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 505.7±25.0 °C at 760 mmHg |
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| Molecular Formula | C25H40O4 | Melting Point | 107-109 ºC |
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| MSDS | / | Flash Point | 162.2±16.7 °C |
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Names
| Name | 7-ketolithocholic methyl ester |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 505.7±25.0 °C at 760 mmHg |
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| Melting Point | 107-109 ºC |
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| Molecular Formula | C25H40O4 |
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| Molecular Weight | 404.583 |
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| Flash Point | 162.2±16.7 °C |
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| Exact Mass | 404.292664 |
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| PSA | 63.60000 |
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| LogP | 4.71 |
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| Vapour Pressure | 0.0±2.9 mmHg at 25°C |
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| Index of Refraction | 1.518 |
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| InChIKey | FNBYYFMYNRYPPC-YLOOLPOOSA-N |
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| SMILES | COC(=O)CCC(C)C1CCC2C3C(=O)CC4CC(O)CCC4(C)C3CCC12C |
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Safety Information
Synonyms
| methyl 7-oxo-3α-hydroxy-5β-cholanoate |
| 7-ketolithocholic acid methyl ester |
| Methyl (3α,5β)-3-hydroxy-7-oxocholan-24-oate |
| Methyl 3α-hydroxy-7-oxo-5β-cholan-24-oate |
| 3α-hydroxy-7-keto-5β-cholan-24-oic acid methyl ester |
| methyl 3α-hydroxy-7-keto-5β-cholanate |
| methyl 3α-hydroxy-7-keto-5β-cholan-24-oate |
| Cholan-24-oic acid, 3-hydroxy-7-oxo-, methyl ester, (3α,5β)- |
| Obeticholicacid |
| Methyl 7-keto-3alpha-hydroxy-5beta-cholanoate |
