2-Debenzoyl-7,13-bis(triethylsilyl)baccatin III | 150542-00-0
中文名称
——
中文别名
——
英文名称
2-Debenzoyl-7,13-bis(triethylsilyl)baccatin III
英文别名
2-O-debenzoyl-7,13-di-O-TES-baccatin III；[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,2-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9,15-bis(triethylsilyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-12-yl] acetate
CAS
150542-00-0
化学式
C36H62O10Si2
mdl
——
分子量
711.053
InChiKey
BHFRZAKOAUMLBR-NDPOWFEBSA-N
BEILSTEIN
——
EINECS
——
-
物化性质
-
计算性质
-
ADMET
-
安全信息
-
SDS
-
制备方法与用途
-
上下游信息
-
文献信息
-
表征谱图
-
同类化合物
-
相关功能分类
-
相关结构分类
物化性质
-
沸点：662.5±55.0 °C(predicted)
-
密度：1.13±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
计算性质
-
辛醇/水分配系数(LogP)：5.85
-
重原子数：48
-
可旋转键数：14
-
环数：4.0
-
sp3杂化的碳原子比例：0.86
-
拓扑面积：138
-
氢给体数：2
-
氢受体数：10
上下游信息
-
上游原料
中文名称 英文名称 CAS号 化学式 分子量 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 巴卡丁 III baccatin III 27548-93-2 C31H38O11 586.636 -
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)-12-((cyclohexanecarbonyl)oxy)-11-hydroxy-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-6,12b(2aH)-diyl diacetate 152448-67-4 C43H72O11Si2 821.209 —— 2-debenzoyl-2-acetyl-7-triethylsilylbaccatin III 618427-96-6 C32H50O11Si 638.828 —— 1,2-O,O-Carbonyl-7,13-O,O-bis(triethylsilyl)-2-debenzoylbaccatin III 175982-31-7 C37H60O11Si2 737.048 —— 2-debenzoyl-2-cyclohexanecarbonyl-7-triethylsilylbaccatin III 152448-63-0 C37H58O11Si 706.946 —— (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-11-hydroxy-4a,8,13,13-tetramethyl-12-(((methylthio)carbonothioyl)oxy)-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-6,12b(2aH)-diyl diacetate 150542-02-2 C38H64O10S2Si2 801.223 —— 1,2-O,O-Carbonyl-7,13-O,O-bis(triethylsilyl)-4-deacetyl-2-debenzoylbaccatin III 175982-40-8 C35H58O10Si2 695.011 —— (3aS,5S,8R,9aS,10S,11aR,13aS,13bR,13cS)-6,9a,14,14-tetramethyl-9-oxo-2-thioxo-5,10-bis((triethylsilyl)oxy)-4,5,8,9,9a,10,11,11a,13b,13c-decahydro-3a,7-methanooxeto[2'',3'':5',6']benzo[1',2':3,4]cyclodeca[1,2-d][1,3]dioxole-8,13a(13H)-diyl diacetate 150542-01-1 C37H60O10SSi2 753.114 —— [(1S,5S,6R,7S,8S,10S,11S,13R,16S)-13-acetyloxy-7-hydroxy-7-(hydroxymethyl)-11,15,18,18-tetramethyl-3,12-dioxo-10,16-bis(triethylsilyloxy)-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-en-8-yl] acetate 175982-32-8 C37H62O12Si2 755.063 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 —— [(1S,5S,6R,8S,10S,11S,13R,16S)-13-acetyloxy-11,15,18,18-tetramethyl-7-methylidene-3,12-dioxo-10,16-bis(triethylsilyloxy)-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-en-8-yl] acetate 175982-35-1 C37H60O10Si2 721.048 —— (4S,4aS,6R,9S,11S,12S,12aR)-11,12-(Carbonyldioxy)-4a,8,13,13-tetramethyl-1-methylene-5-oxo-4,9-bis(triethylsiloxy)-1,2,3,4,4a,5,6,9,10,11,12,12a-dodecahydro-7,11-methanobenzocyclodecen-6-yl acetate 175982-36-2 C35H58O8Si2 663.012 —— [(1'S,4S,5'S,6'R,8'S,10'S,11'S,13'R,16'S)-13'-acetyloxy-11',15',18',18'-tetramethyl-3',12'-dioxo-2-sulfanylidene-10',16'-bis(triethylsilyloxy)spiro[1,3-dioxolane-4,7'-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene]-8'-yl] acetate 175982-34-0 C38H60O12SSi2 797.124 7-O-(三乙基硅烷基)浆果赤霉素III 7-(triethylsilyl)baccatin III 115437-21-3 C37H52O11Si 700.899 —— (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12-((cyclohexanecarbonyl)oxy)-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b(2aH)-diyl diacetate 152448-62-9 C31H44O11 592.684 —— (4S,4aS,6R,9S,11S,12S,12aS)-1-Bromomethyl-11,12-(carbonyldioxy)-4a,8,13,13-tetramethyl-5-oxo-4,9-bis(triethylsiloxy)-3,4,4a,5,6,9,10,11,12,12a-decahydro-7,11-methanobenzocyclodecen-6-yl acetate 175982-37-3 C35H57BrO8Si2 741.908 —— (1S,2S,4S,4aS,6R,9S,11S,12S,12aR)-2-Bromo-11,12-(carbonyldioxy)-1-hydroxy-1-hydroxymethyl-4a,8,13,13-tetramethyl-5-oxo-4,9-bis(triethylsiloxy)-1,2,3,4,4a,5,6,9,10,11,12,12a-dodecahydro-7,11-methanobenzocyclodecen-6-yl acetate 175982-39-5 C35H59BrO10Si2 775.922 —— (2S,4S,4aS,6R,9S,11S,12S,12aS)-2-Bromo-11,12-(carbonyldioxy)-4a,8,13,13-tetramethyl-1-methylene-5-oxo-4,9-bis(triethylsiloxy)-1,2,3,4,4a,5,6,9,10,11,12,12a-dodecahydro-7,11-methanobenzocyclodecen-6-yl acetate 175982-38-4 C35H57BrO8Si2 741.908 —— [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-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] 3-phenylmethoxybenzoate 253327-73-0 C44H58O12Si 807.023 巴卡丁 III baccatin III 27548-93-2 C31H38O11 586.636 —— (2aR,4S,4aS