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6’-羟基甲基辛伐他汀
(1S,3R,7S,8S,8aR)-3-(Hydroxymethyl)-8-{2-[(2R,4R)-4-hydroxy-6-oxo tetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydro-1 -naphthalenyl 2,2-dimethylbutanoate
化合物简介
A metabolite of Simvastatin.
基本信息
CAS:114883-29-3
中文别名:
英文别名:4-tert-Butyldimethylsilyl-4a\'-hydroxy Simvastatin;6\'-Hydroxysimvastatin;6(R)-[2-[8(S)-(2,2-Dimethylbutyryloxy)-6(R)-hydroxymethyl-2(S)-methyl-1,2,6,7,8,8a(R)-hexahydronaphthyl-1(S)]ethyl]-4(R)-hydroxy-3,4,5,6-tetrahydro-2H-pyran-2-one;6(R)-<2-<4a(S)-Hydroxy-8(S)-((2,2-dimethylbutyryl)oxy)-2(S),6(R)-dimethyl-1,2,4a,5,6,7,8,8a(S)-octahydronaphth-1(S)-yl>ethyl>-4(R)-((tert-butyldimethylsilyl)oxy)-3,4,5,6-tetrahydro-2H-pyran-2-one;6`-Hydroxymethyl Simvastatin;2,2-Dimethyl-butanoic Acid [1S-[1|A,3|A,4a|A,7|A,8|A(2S*,4S*),8a|A]]-8-[2-[4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,4,4a,7,8,8a-octahydro-4a-hydroxy-3,7-dimethyl-1-naphthalenyl Ester;6(R)-[2-[6(R)-hydroxymethyl-8(S)-(2,2-dimethylbutyryloxy)-2(S)-methyl-1,2,6,7,8,8a(R)-hexa-hydronaphthyl-1(S)]ethyl]-4(R)-hydroxy-3,4,5,6 tetra-hydro-2H-pyran-2-one;6(R)-[2-[4a(S)-hydroxy-8(S)-(2,2-dimethylbutyryloxy)-2(S),6(R)-dimethyl-1,2,4a,5,6,7,8,8a(S) octahydronaphthyl-1(S)]ethyl]-4(R)-(t-butyldimethylsilyloxy)-3,4,5,6-tetrahydro-2H-pyran-2-one;6(R)-[2-[8(S)-(2,2-dimethylbutyryloxy)-2(S)-methyl-6(R)-hydroxymethyl-1,2,6,7,8,8a(R)-hexahydronaphthyl-1(S)]ethyl]-4(R)-hydroxy-3,4,5,6-tetrahydro-2H-pyran-2-one;
分子式:C25H38O6
分子量:434.566
精确质量:434.267
Psa:93.06
Logp:3.558
中文别名:
英文别名:4-tert-Butyldimethylsilyl-4a\'-hydroxy Simvastatin;6\'-Hydroxysimvastatin;6(R)-[2-[8(S)-(2,2-Dimethylbutyryloxy)-6(R)-hydroxymethyl-2(S)-methyl-1,2,6,7,8,8a(R)-hexahydronaphthyl-1(S)]ethyl]-4(R)-hydroxy-3,4,5,6-tetrahydro-2H-pyran-2-one;6(R)-<2-<4a(S)-Hydroxy-8(S)-((2,2-dimethylbutyryl)oxy)-2(S),6(R)-dimethyl-1,2,4a,5,6,7,8,8a(S)-octahydronaphth-1(S)-yl>ethyl>-4(R)-((tert-butyldimethylsilyl)oxy)-3,4,5,6-tetrahydro-2H-pyran-2-one;6`-Hydroxymethyl Simvastatin;2,2-Dimethyl-butanoic Acid [1S-[1|A,3|A,4a|A,7|A,8|A(2S*,4S*),8a|A]]-8-[2-[4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,4,4a,7,8,8a-octahydro-4a-hydroxy-3,7-dimethyl-1-naphthalenyl Ester;6(R)-[2-[6(R)-hydroxymethyl-8(S)-(2,2-dimethylbutyryloxy)-2(S)-methyl-1,2,6,7,8,8a(R)-hexa-hydronaphthyl-1(S)]ethyl]-4(R)-hydroxy-3,4,5,6 tetra-hydro-2H-pyran-2-one;6(R)-[2-[4a(S)-hydroxy-8(S)-(2,2-dimethylbutyryloxy)-2(S),6(R)-dimethyl-1,2,4a,5,6,7,8,8a(S) octahydronaphthyl-1(S)]ethyl]-4(R)-(t-butyldimethylsilyloxy)-3,4,5,6-tetrahydro-2H-pyran-2-one;6(R)-[2-[8(S)-(2,2-dimethylbutyryloxy)-2(S)-methyl-6(R)-hydroxymethyl-1,2,6,7,8,8a(R)-hexahydronaphthyl-1(S)]ethyl]-4(R)-hydroxy-3,4,5,6-tetrahydro-2H-pyran-2-one;
分子式:C25H38O6
分子量:434.566
精确质量:434.267
Psa:93.06
Logp:3.558
编号系统
物化性质
安全信息
生产方法及用途
合成路线
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参考文献
Journal of Organic Chemistry, , vol. 57, # 7 p. 1966 - 1968
上游原料
下游产品
图谱
13C NMR : Predict







