(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

(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 基本信息
CAS号 114883-29-3 分子式 C25H38O6
分子量 434.56600 精确质量 　434.26700
PSA 　93.06000 LogP 　3.55800
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基本信息 合成路线 上下游

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CAS号：
114883-29-3
3D弹球模型：
立即前往扯扯看
分子式：
C25H38O6
分子量：
434.56600
中文名称：
(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
英文名称：
(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
中文别名：
(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
英文别名：
(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;
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-[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;
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
精确分子量/精确质量：
434.26700
极性分子表面积/PSA：
93.06000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
The Key: ATPFRGQBOVFFQM-HGQWONQESA-N

合成路线查看所有的合成路线

  • 125175-64-6

    4a',6'-Anhydro-4-tert-butyldimethylsilyl Simvastatin

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    ~58%

  • 139408-04-1

    139408-04-1

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  • 114883-29-3

    (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

  • 123852-10-8

    β.-D-核-六吡喃糖,1,6-脱水-4-O-(环丁基甲基)-3-脱氧-2-O-甲基-

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  • 114883-29-3

    (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

  • 125175-63-5

    125175-63-5

  • →

  • 114883-29-3

    (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

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  • 125175-64-6

    4a',6'-Anhydro-4-tert-butyldimethylsilyl Simvastatin

  • 79902-63-9

    辛伐他汀

  • 79902-59-3

    6(R)-[2-[8(S)-((2,2-Dimethylbutyryl)oxy)-2(S),6(R)-dimethyl-1,2,6,7,8,8a(R)-hexahydronaphth-1(S)-yl]ethyl]-4(R)-((tert-butyldimethylsilyl)oxy)-3,4,5,6-tetrahydro-2H-pyran-2-one

  • 125175-63-5

    N/A

  • 123852-10-8

    β.-D-核-六吡喃糖,1,6-脱水-4-O-(环丁基甲基)-3-脱氧-2-O-甲基-

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