Account (1S,3R,4S,6S,7R,8S,8aR)-4,6-Dihydroxy-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl 2,2-dimethylbutanoate
- Catalog No. :
- ACEAUT918
- CAS No. :
- 159143-77-8
- Molecular Formula :
- C25H40O7
- Molecular Weight :
- 452.59
IUPAC Name:(1S,3R,4S,6S,7R,8S,8aR)-4,6-dihydroxy-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl 2,2-dimethylbutanoate
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Product Information
| Product Name | (1S,3R,4S,6S,7R,8S,8aR)-4,6-Dihydroxy-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl 2,2-dimethylbutanoate |
|---|---|
| IUPAC Name | (1S,3R,4S,6S,7R,8S,8aR)-4,6-dihydroxy-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl 2,2-dimethylbutanoate |
| Molecular Formula | C25H40O7 |
| Molecular Weight | 452.59 |
| SMILES | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@H](O)C2=C[C@@H](O)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 |
| InChI Key | MRCKOKWQDZYFLT-RWKWUWFSSA-N |
| Synonym | Simvastatin Impurity 15;(3S, 5S)-Dihydroxy Simvastatin;3',5'-Dihydrodiol SiMvastatin (Mixture of DiastereoMers);3(s), 5(s)-Dihydroxy SiMvastatin-d3;[1S-[1α,3α,4β,6α,7β,8β(2S*,4S*),8aβ]]-;Simvastatin Impurity 9;3',5'-Dihydrodiol SiMvastatin;Simvastatin Dihydro Diol Impurity |
| CAS No. | 159143-77-8 |
Synthetic Route by SureRoute
2. ACEAUT918 Molecular Building Block Synthetic Route
(3R,5R)-7-((1S,2R,6R,8S,8AR)-8-((2,2-dimethylbutanoyl)oxy)-3,5-dihydroxy-2,6-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)-3,5-dihydroxyheptanoic acid
(1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
8-[2-(4-Hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate