| Name | [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-acetyloxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate |
|---|---|
| Synonyms |
(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-Acetoxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2,2-dimethylbutanoate
Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(acetyloxy)tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl ester 4'-Acetyl Simvastatin Acetyl simvastatin Simvastatin EP Impurity B Simvastatin Impurity 2 |
| Description | 4-Acetylsimvastatin is an acetylated simvastatin. Simvastatin is a competitive inhibitor of HMG-CoA reductase with a Ki of 0.2 nM[1]. |
|---|---|
| Related Catalog | |
| References |
[1]. Brian Morgan, ey al. Methods for Making Simvastatin and Intermediates. US20110059493A1. |
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 575.2±50.0 °C at 760 mmHg |
| Molecular Formula | C27H40O6 |
| Molecular Weight | 460.603 |
| Flash Point | 243.2±30.2 °C |
| Exact Mass | 460.282501 |
| PSA | 78.90000 |
| LogP | 5.31 |
| Vapour Pressure | 0.0±1.6 mmHg at 25°C |
| Index of Refraction | 1.520 |
|
~97%
Detail
|
| Literature: WO2005/40107 A2, ; Page/Page column 41-43; 80-82 ; |
|
~97%
145576-25-6 |
| Literature: DIVERSA CORPORATION Patent: WO2005/40107 A2, 2005 ; Location in patent: Page/Page column 31; 61 ; |
|
Detail
|
| Literature: WO2005/40107 A2, ; Page/Page column 51-53 ; |
|
~43%
145576-25-6
Detail
|
| Literature: WO2005/40107 A2, ; Page/Page column 45; 83 ; |
|
~85%
145576-25-6 |
| Literature: DIVERSA CORPORATION Patent: WO2005/40107 A2, 2005 ; Location in patent: Page/Page column 66; 68 ; |
| Precursor 4 | |
|---|---|
| DownStream 3 | |