Introduction：Basic information about CAS 21066-20-6|(3alpha,5beta,12alpha)-3,12-bis(acetyloxy)-7-oxocholan-24-oic acid methyl este, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (3alpha,5beta,12alpha)-3,12-bis(acetyloxy)-7-oxocholan-24-oic acid methyl ester |
|---|
| CAS Number | 21066-20-6 | Molecular Weight | 504.65500 |
|---|
| Density | / | Boiling Point | / |
|---|
| Molecular Formula | C29H44O7 | Melting Point | / |
|---|
| MSDS | / | Flash Point | / |
|---|
Names
| Name | methyl 7-dehydrocholate diacetate (methyl 3α,12α-diacetoxy-7-oxo-5β-cholan-24-oate) |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Molecular Formula | C29H44O7 |
|---|
| Molecular Weight | 504.65500 |
|---|
| Exact Mass | 504.30900 |
|---|
| PSA | 95.97000 |
|---|
| LogP | 4.88690 |
|---|
| InChIKey | DATLSYWCILADOV-YQLBWAHWSA-N |
|---|
| SMILES | COC(=O)CCC(C)C1CCC2C3C(=O)CC4CC(OC(C)=O)CCC4(C)C3CC(OC(C)=O)C12C |
|---|
Synonyms
| (3ALPHA,5BETA,12ALPHA)-3,12-BIS(ACETYLOXY)-7-OXOCHOLAN-24-OIC ACID METHYL ESTER |
| 3Alpha,12Alpha-diacetoxy-7-oxo-5Beta-cholan-24-oic acid methyl ester |
