Account Simvastatin Acyl-β-D-glucuronide
- Catalog No. :
- ACZSJF206
- CAS No. :
- 463962-56-3
- Molecular Formula :
- C31H48O12
- Molecular Weight :
- 612.71
IUPAC Name:(2S,3S,4S,5R,6S)-6-(((3R,5R)-7-((1S,2S,6R,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | Simvastatin Acyl-β-D-glucuronide |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6S)-6-(((3R,5R)-7-((1S,2S,6R,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C31H48O12 |
| Molecular Weight | 612.71 |
| SMILES | O=C(O[C@H]1C[C@@H](C)C=C(C=C[C@@H]2C)[C@@]1([H])[C@H]2CC[C@H](C[C@H](CC(O[C@H](O[C@H](C(O)=O)[C@H]3O)[C@H](O)[C@H]3O)=O)O)O)C(C)(CC)C |
| InChI Key | PBLYTKVVBICSHZ-DBGCAFMXSA-N |
| Synonym | 1-[(βR,δR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoate] β-D-Glucopyranuronic Acid |
| CAS No. | 463962-56-3 |
| PubChem CID | 46782919 |
