Triol-pravastatin
(3R,5R)-7-[(1R,2R,6S,8S,8aR)-3,5,6-trihydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
Also Known As: Triol-pravastatin|AC1L1Y7A|AC1Q5T3L|(3r,5r)-3,5-dihydroxy-7-[(1r,2r,6s,8s,8ar)-3,5,6-trihydroxy-2-methyl-8-{[(2s)-2-methylbutanoyl]oxy}-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]heptanoic acid|(3R,5R)-7-[(1R,2R,6S,8S,8aR)-3,5,6-trihydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid|3,5-Dihydroxy-7-{3,5,6-trihydroxy-2-methyl-8-[(2-methylbutanoyl)oxy]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}heptanoic acid
| Molecular Formula | C23H38O9 |
|---|---|
| Molecular Weight | 458.2516 g/mol |
| LogP | 1.38 |
| Topological Polar Surface Area | 164.75 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 458.2516 |
| Heavy Atoms | 32 |
| Complexity | 678.4 |
Chemical Identifiers
| CAS Number | 124409-20-7 |
|---|---|
| SMILES | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C(C2[C@H]1[C@H]([C@H](C(=C2)O)C)CC[C@H](C[C@H](CC(=O)O)O)O)O)O |
Product Overview
Triol-pravastatin (CAS 124409-20-7), with molecular formula C23H38O9 and molecular weight 458.2516 g/mol. IUPAC: (3R,5R)-7-[(1R,2R,6S,8S,8aR)-3,5,6-trihydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid.
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