2-debenzoyl-4-deacetyl-5α-bromo-7,10-di(triethylsilyl)-20-hydroxy-13-oxo-D-seco-10-deacetylbaccatin III 1,2 carbonate | 285118-31-2
中文名称
——
中文别名
——
英文名称
2-debenzoyl-4-deacetyl-5α-bromo-7,10-di(triethylsilyl)-20-hydroxy-13-oxo-D-seco-10-deacetylbaccatin III 1,2 carbonate
英文别名
(1S,5S,6R,7S,8S,10S,11S,13R)-8-bromo-7-hydroxy-7-(hydroxymethyl)-11,15,18,18-tetramethyl-10,13-bis(triethylsilyloxy)-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,12,16-trione
CAS
285118-31-2
化学式
C33H55BrO9Si2
mdl
——
分子量
731.869
InChiKey
WVDFSZMQQNSBLY-GXSZRXJMSA-N
BEILSTEIN
——
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：732.6±60.0 °C(predicted)
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密度：1.25±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
计算性质
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辛醇/水分配系数(LogP)：6.45
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重原子数：45
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可旋转键数：11
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环数：4.0
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sp3杂化的碳原子比例：0.85
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拓扑面积：129
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氢给体数：2
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氢受体数：9
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 —— 2-debenzoyl-4-deacetyl-7,10-di(triethylsilyl)-13-oxo-10-deacetylbaccatin III 1,2 carbonate 285118-30-1 C33H54O9Si2 650.957 —— 7,10-di(triethylsilyl)-13-oxo-10-deacetylbaccatin III 184645-50-9 C41H62O10Si2 771.108 —— 2-debenzoyl-4-deacetyl-7,10-di(triethylsilyl)-13-oxo-10-deacetylbaccatin III 285118-38-9 C32H56O8Si2 624.963 13-氧代-10-去乙酰基浆果赤霉素III 13-dehydro-10-deacetylbaccatin III 92950-42-0 C29H34O10 542.583 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— (3aS,8R,9aS,10S,12S,13R,13aS,13bS)-12-bromo-13-hydroxy-6,9a,14,14-tetramethyl-8,10-bis((triethylsilyl)oxy)-10,11,12,13,13a,13b-hexahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxole-2,5,9(8H,9aH)-trione 646502-67-2 C32H53BrO8Si2 701.843 —— 2-debenzoyl-4-deacetyl-4(20)-epoxy-5α-bromo-7,10-di(triethylsilyl)-13-oxo-D-seco-10-deacetylbaccatin III 1,2 carbonate 285118-32-3 C33H53BrO8Si2 713.854 —— (1S,5S,6R,7R,8S,10S,11S,13R)-8-bromo-7-hydroxy-7-(iodomethyl)-11,15,18,18-tetramethyl-10,13-bis(triethylsilyloxy)-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,12,16-trione 285118-33-4 C33H54BrIO8Si2 841.766 —— (3aS,8R,9aS,10S,12S,13R,13aR,13bS)-12-bromo-6,9a,14,14-tetramethyl-2,5,9-trioxo-8,10-bis((triethylsilyl)oxy)-5,8,9,9a,10,11,12,13,13a,13b-decahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-13-yl acetate 646502-69-4 C34H55BrO9Si2 743.88 —— (1S,5S,6R,8S,10S,11S,13R)-8-bromo-11,15,18,18-tetramethyl-10,13-bis(triethylsilyloxy)-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7,12,16-tetrone 646502-66-1 C32H51BrO8Si2 699.827 —— (3aS,8R,9aS,10S,11aS,12aS,12bR,12cS)-12a-hydroxy-6,9a,13,13-tetramethyl-8,10-bis((triethylsilyl)oxy)-9a,10,11,11a,12,12a,12b,12c-octahydro-3a,7-methanocyclopropa[5',6']benzo[1',2':3,4]cyclodeca[1,2-d][1,3]dioxole-2,5,9(4H,8H)-trione 285118-34-5 C33H54O8Si2 634.958 —— (3aS,8R,9aS,10S,11aS,12aS,12bR,12cS)-6,9a,13,13-tetramethyl-2,5,9-trioxo-8,10-bis((triethylsilyl)oxy)-5,8,9,9a,10,11,11a,12,12b,12c-decahydro-3a,7-methanocyclopropa[5',6']benzo[1',2':3,4]cyclodeca[1,2-d][1,3]dioxol-12a(4H)-yl acetate 285118-39-0 C35H56O9Si2 676.995 —— 2-debenzoyl-7,10-di(triethylsilyl)-5(20)-deoxy-5(20)-sulfanyl-13-oxo-10-deacetylbaccatin III 1,2 carbonate 358621-63-3 C35H56O9SSi2 709.061 —— Benzoic acid (1S,2S,3S,4S,7S,8S,10R)-4-acetoxy-1-hydroxy-8,12,15,15-tetramethyl-9,13-dioxo-7,10-bis-triethylsilanyloxy-tricyclo[9.3.1.03,8]pentadec-11-en-2-yl ester 646502-72-9 C40H62O9Si2 743.098 —— (1aS,3S,3aS,5R,10S,11S,11aR,11bS)-11b-acetoxy-10-hydroxy-3a,7,12,12-tetramethyl-4,8-dioxo-3,5-bis((triethylsilyl)oxy)-1a,2,3,3a,4,5,8,9,10,11,11a,11b-dodecahydro-1H-6,10-methanocyclopropa[3,4]benzo[1,2][10]annulen-11-yl benzoate 285118-35-6 C41H62O9Si2 755.109 —— Benzoic acid (1S,2S,3S,4S,7S,8S,10R)-4-acetoxy-1-hydroxy-8,12,15,15-tetramethyl-9,13-dioxo-7,10-bis-triethylsilanyloxy-tricyclo[9.3.1.03,8]pentadeca-5,11-dien-2-yl ester 646502-78-5 C40H60O9Si2 741.082 —— (1aS,3S,3aS,5R,8S,10S,11S,11aR,11bS)-11b-acetoxy-8,10-dihydroxy-3a,7,12,12-tetramethyl-4-oxo-3,5-bis((triethylsilyl)oxy)-1a,2,3,3a,4,5,8,9,10,11,11a,11b-dodecahydro-1H-6,10-methanocyclopropa[3,4]benzo[1,2][10]annulen-11-yl benzoate 285118-36-7 C41H64O9Si2 757.125 —— Benzoic acid (1S,2S,3S,4S,7S,8S,10R,13S)-4-acetoxy-1,13-dihydroxy-8,12,15,15-tetramethyl-9-oxo-7,10-bis-triethylsilanyloxy-tricyclo[9.3.1.03,8]pentadec-11-en-2-yl ester 646502-73-0 C40H64O9Si2 745.114 —— 7,10-di(triethylsilyl)-5(20)-deoxy-5(20)-sulfanyl-13-oxo-10-deacetylbaccatin III 358621-66-6 C41H62O9SSi2 787.175 —— 7,10-di(triethylsilyl)-5(20)-deoxy-5(20)-sulfanyl-10-deacetylbaccatin III 358621-67-7 C41H64O9SSi2 789.191 —— 2-(4-methoxy-phenyl)-4-phenyl-oxazolidine-3,5-dicarboxylic acid 5-(4-acetoxy-2-benzoyloxy-1-hydroxy-8,12,15,15-tetramethyl-9-oxo-7,10-bis-triethylsilanyloxy-tricyclo[9.3.1.03,8]pentadec-11-en-13-yl) ester 3-tert-butyl ester 646502-75-2 C62H87NO14Si2 1126.54 —— 2-(4-methoxy-phenyl)-4-phenyl-oxazolidine-3,5-dicarboxylic acid 5-(4-acetoxy-2-benzoyloxy-1-hydroxy-8,12,15,15-tetramethyl-9-oxo-7,10-bis-triethylsilanyloxy-tricyclo[9.3.1.03,8]pentadeca-5,11-dien-13-yl) ester 3-tert-butyl ester 646502-81-0 C62H85NO14Si2 1