Introduction：Basic information about CAS 1516887-33-4|(E)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (E)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acid |
|---|
| CAS Number | 1516887-33-4 | Molecular Weight | 416.593 |
|---|
| Density | 1.1±0.1 g/cm3 | Boiling Point | 573.1±43.0 °C at 760 mmHg |
|---|
| Molecular Formula | C26H40O4 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 314.5±24.7 °C |
|---|
Names
| Name | (E)-3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oic acid |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|
| Boiling Point | 573.1±43.0 °C at 760 mmHg |
|---|
| Molecular Formula | C26H40O4 |
|---|
| Molecular Weight | 416.593 |
|---|
| Flash Point | 314.5±24.7 °C |
|---|
| Exact Mass | 416.292664 |
|---|
| PSA | 74.60000 |
|---|
| LogP | 5.05 |
|---|
| Vapour Pressure | 0.0±3.6 mmHg at 25°C |
|---|
| Index of Refraction | 1.567 |
|---|
| InChIKey | RDCBMNFSJFALPG-DJRXPLGLSA-N |
|---|
| SMILES | CC=C1C(=O)C2C(CCC3(C)C(C(C)CCC(=O)O)CCC23)C2(C)CCC(O)CC12 |
|---|
Safety Information
Synonyms
| (3α,5β,6E)-6-Ethylidene-3-hydroxy-7-oxocholan-24-oic acid |
| (E)-3-hydroxy-6-ethylidene-7-keto-5-cholan-24-oic acid |
| (R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid |
| Cholan-24-oic acid, 6-ethylidene-3-hydroxy-7-oxo-, (3α,5β,6E)- |
| (3alpha,5beta,6E)-6-Ethylidene-3-hydroxy-7-oxocholan-24-oic acid |
