4-deacetyl-1-DMS-7,13-(TES)baccatin III | 160582-75-2
中文名称
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中文别名
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英文名称
4-deacetyl-1-DMS-7,13-(TES)baccatin III
英文别名
1-dimethylsilyl-4-deacetyl-7,13-bis(triethylsilane)baccatin III；4-deacetyl-1-dimethylsilyl-7,13-bis(triethylsilyl)baccatin III；C-4 deacetyl baccatin
CAS
160582-75-2
化学式
C43H70O10Si3
mdl
——
分子量
831.279
InChiKey
UIFKMFFMDYFQED-NVCFCFSYSA-N
BEILSTEIN
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EINECS
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
物化性质
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沸点：739.5±60.0 °C(predicted)
计算性质
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辛醇/水分配系数(LogP)：8.15
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重原子数：56.0
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可旋转键数：15.0
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环数：5.0
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sp3杂化的碳原子比例：0.74
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拓扑面积：126.82
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氢给体数：1.0
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氢受体数：10.0
上下游信息
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上游原料
中文名称 英文名称 CAS号 化学式 分子量 —— 1-dimethylsilyl-7,13-bis(triethylsilane)baccatin III 160582-74-1 C45H72O11Si3 873.317 7,13-二-O-(三乙基硅烷基)浆果赤霉素III 7,13-O,O-Bis(triethylsilyl)baccatin III 150541-99-4 C43H66O11Si2 815.161 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6-acetoxy-11-((dimethylsilyl)oxy)-4a,8,13,13-tetramethyl-5-oxo-4,9-bis((triethylsilyl)oxy)-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-12,12b(2aH)-diyl dibenzoate 160582-81-0 C50H74O11Si3 935.387 —— (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6-acetoxy-11-hydroxy-12b-methoxy-4a,8,13,13-tetramethyl-5-oxo-4,9-bis((triethylsilyl)oxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate 179065-09-9 C42H66O10Si2 787.151 —— (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6-acetoxy-4,11-dihydroxy-12b-methoxy-4a,8,13,13-tetramethyl-5-oxo-9-((triethylsilyl)oxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate 179065-10-2 C36H52O10Si 672.888 —— [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-12-acetyloxy-4-benzoyloxy-1,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate 160582-80-9 C42H54O11Si 762.97 —— [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-12-acetyloxy-4-(cyclopropanecarbonyloxy)-1,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate 160582-78-5 C39H54O11Si 726.937 —— [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-12-acetyloxy-1,15-dihydroxy-4-(2-hydroxyethylcarbamoyloxy)-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate 165686-27-1 C38H55NO12Si 745.94 —— 7-TES-4-aziridine baccatin 165686-28-2 C38H53NO11Si 727.924 —— [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-12-acetyloxy-1,15-dihydroxy-10,14,17,17-tetramethyl-4-(4-nitrophenoxy)carbonyloxy-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate 165686-26-0 C42H53NO14Si 823.967 —— 10-deacetylbaccatin III 189006-03-9 C29H36O10 544.599 —— C-4 methyl ether baccatin III 179065-08-8 C30H38O10 558.626 —— [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-12-acetyloxy-4-benzoyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate 1045727-73-8 C36H40O11 648.707 —— [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-12-acetyloxy-4-(cyclopropanecarbonyloxy)-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate 1045726-80-4 C33H40O11 612.674 —— (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6-acetoxy-9,11-dihydroxy-12b-methoxy-4a,8,13,13-tetramethyl-5-oxo-4-(((2,2,2-trichloroethoxy)carbonyl)oxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate 179065-11-3 C33H39Cl3O12 734.024 —— [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-12-acetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-4-(4-nitrophenoxy)carbonyloxy-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate 165686-25-9 C36H39NO14 709.704 —— [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-12-acetyloxy-15-[(2R,3S)-3-benzamido-3-phenyl-2-triethylsilyloxypropanoyl]oxy-4-benzoyloxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate 160582-82-1 C64H81NO14Si2 1144.52 —— [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-12-acetyloxy-15-[(2R,3S)-3-benzamido-3-phenyl-2-triethylsilyloxy