4'-乙酰基辛伐他汀
Acetyl simvastatin
辛伐他汀乙酸酯
,
乙酰基辛伐他汀, (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
CAS号: 145576-25-6
IUPAC名称: [(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
分子式: C27H40O6
分子量: 460.603
InChI: InChI=1S/C27H40O6/c1-7-27(5,6)26(30)33-23-13-16(2)12-19-9-8-17(3)22(25(19)23)11-10-20-14-21(31-18(4)28)15-24(29)32-20/h8-9,12,16-17,20-23,25H,7,10-11,13-15H2,1-6H3/t16-,17-,20+,21+,22-,23-,25-/m0/s1
InChIKey: OHVWRJDVJRNCPE-BIKFJBPRSA-N
SMILES: -
EINECS: CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)OC(=O)C)C
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