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辛伐他汀杂质A(Simvastatin Hydroxy Acid Methyl Ester)
辛伐他汀羟基酸甲酯, Simvastatin Hydroxy Acid Methyl Ester, Simvastatin Impurity 12
CAS号: 145576-26-7
IUPAC名称: methyl (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
分子式: C26H42O6
分子量: 450.60800
InChI: InChI=1S/C26H42O6/c1-7-26(4,5)25(30)32-22-13-16(2)12-18-9-8-17(3)21(24(18)22)11-10-19(27)14-20(28)15-23(29)31-6/h8-9,12,16-17,19-22,24,27-28H,7,10-11,13-15H2,1-6H3/t16-,17-,19+,20+,21-,22-,24-/m0/s1
InChIKey: ANVXHKJGHXLLPK-RVTXAWHXSA-N
SMILES: 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](C[C@H](CC(=O)OC)O)O)C
EINECS: -
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