
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 159143-77-8 |
| Catalog No. | 2A-9092514 |
| Chinese Name | 3',5'-Dihydrodiol Simvastatin |
| Synonyms | Exact Mass 452.27700; PSA 113.29000; LogP 2.75120; InChIKey MRCKOKWQDZYFLT-RWKWUWFSSA-N; Synonyms |
| Molecular Formula | C25H40O7 |
| Molecular Weight | 452.58100 |
| Purity | 96.00% |
| PubChem ID | 162261933 |
| SMILES | CCC(C)(C)C(=O)OC1CC(C)C(O)C2=CC(O)C(C)C(CCC3CC(O)CC(=O)O3)C21 |
| InChI | InChI=1S/C25H40O7/c1-6-25(4,5)24(30)32-20-9-13(2)23(29)18-12-19(27)14(3)17(22(18)20)8-7-16-10-15(26)11-21(28)31-16/h12-17,19-20,22-23,26-27,29H,6-11H2,1-5H3/t13-,14-,15-,16?,17+,19?,20+,22-,23?/m1/s1 |
| InChI Key | MRCKOKWQDZYFLT-RWKWUWFSSA-N |
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