CAS Number10538-59-7
Synonymsmethyl 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; Obeticholicacid; Methyl 7-keto-3alpha-hydroxy-5beta-cholanoate
Molecular FormulaC25H40O4
Molecular Weight404.583
Density1.1±0.1 g/cm3
Boiling Point505.7±25.0 °C at 760 mmHg
Melting Point107-109 ºC
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 10538-59-7 |
| Catalog No. | 2A-9092868 |
| Chinese Name | 3α-羟基-7-氧代-胆烷酸-24-甲酯 |
| 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; Obeticholicacid; Methyl 7-keto-3alpha-hydroxy-5beta-cholanoate |
| Molecular Formula | C25H40O4 |
| Molecular Weight | 404.583 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 505.7±25.0 °C at 760 mmHg |
| Melting Point | 107-109 ºC |
| Storage Condition | room temperature, dry |
| PubChem ID | 14903892 |
| SMILES | COC(=O)CCC(C)C1CCC2C3C(=O)CC4CC(O)CCC4(C)C3CCC12C |
| InChI | InChI=1S/C25H40O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-20,23,26H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,23+,24+,25-/m1/s1 |
| InChI Key | FNBYYFMYNRYPPC-YLOOLPOOSA-N |
| MSDS | msds/92868_1_10538_59_7.pdf |
| Transport Info | Product name: 3α-Hydroxy-7-oxo-cholanic acid-24-methyl ester |
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