7-TES-2-debenzoylbaccatin-1,2-carbonate | 237762-05-9

分子结构分类

有机化合物 - 有机氧化合物

中文名称

——

中文别名

——

英文名称

7-TES-2-debenzoylbaccatin-1,2-carbonate

英文别名

[(1S,5S,6R,7S,10R,12S,13S,15R,18S)-13,17,20,20-tetramethyl-3,14-dioxo-12,15,18-tris(triethylsilyloxy)-2,4,9-trioxapentacyclo[14.3.1.01,5.06,13.07,10]icos-16-en-7-yl] acetate

7-TES-2-debenzoylbaccatin-1,2-carbonate化学式

CAS

237762-05-9

化学式

C₄₁H₇₂O₁₀Si₃

mdl

——

分子量

809.273

InChiKey

VLNOKSMNDJPXFW-RHJDUELYSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

727.7±60.0 °C(Predicted)
密度：

1.09±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

9.49
重原子数：

54
可旋转键数：

17
环数：

5.0
sp3杂化的碳原子比例：

0.88
拓扑面积：

116
氢给体数：

0
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
——	7,10,13-tris(triethylsilyl)-2-debenzoyl-10-deacetylbaccatin III	204580-30-3	C₄₀H₇₄O₉Si₃	783.279
——	7,10,13-tris(triethylsilyl)-10-deacetylbaccatin III	194720-19-9	C₄₇H₇₈O₁₀Si₃	887.387
10-脱乙酰基巴卡丁 III	10-deacetylbaccatin III	32981-86-5	C₂₉H₃₆O₁₀	544.599

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	[(1S,5S,6R,7S,8S,10S,11S,13R,16S)-7,8-dihydroxy-11,15,18,18-tetramethyl-3,12-dioxo-10,13,16-tris(triethylsilyloxy)-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-en-7-yl]methyl acetate	892859-18-6	C₄₁H₇₄O₁₁Si₃	827.288
——	(1S,5S,6R,7R,8S,10S,11S,13R,16S)-7,8-dihydroxy-7,11,15,18,18-pentamethyl-10,13,16-tris(triethylsilyloxy)-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,12-dione	892859-21-1	C₃₉H₇₂O₉Si₃	769.252
——	(1S,5S,6R,7S,8S,10S,11S,13R,16S)-8-hydroxy-11,15,18,18-tetramethyl-10,13,16-tris(triethylsilyloxy)spiro[2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-7,2'-oxirane]-3,12-dione	892859-19-7	C₃₉H₇₀O₉Si₃	767.236
——	(3aS,5S,8R,9aS,10S,13R,13aR,13bS)-6,9a,13,14,14-pentamethyl-2,9,12-trioxo-5,8,10-tris((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	892859-22-2	C₄₁H₇₂O₁₀Si₃	809.273
——	(3aS,5S,8R,9aS,10S,12S,13S,13aR,13bS)-12,13-dihydroxy-13-(hydroxymethyl)-6,9a,14,14-tetramethyl-5,8,10-tris((triethylsilyl)oxy)-5,8,10,11,12,13,13a,13b-octahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxole-2,9(9aH)-dione	892859-30-2	C₃₉H₇₂O₁₀Si₃	785.251
——	(3aS,5S,8R,9aS,10S,13R,13aR,13bS)-13-hydroxy-6,9a,13,14,14-pentamethyl-5,8,10-tris((triethylsilyl)oxy)-5,8,10,11,13a,13b-hexahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxole-2,9,12(9aH,13H)-trione	892859-31-3	C₃₉H₇₀O₉Si₃	767.236
——	(1S,5S,6R,7R,8S,10S,11S,13R,16S)-7,8-dihydroxy-7-(iodomethyl)-11,15,18,18-tetramethyl-10,13,16-tris(triethylsilyloxy)-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,12-dione	892859-20-0	C₃₉H₇₁IO₉Si₃	895.148
——	7,10,13-tri(triethylsilyl)-2-debenzoyl-2-(3-methoxybenzoyl)-10-deacetylbaccatin III	259522-65-1	C₄₈H₈₀O₁₁Si₃	917.413
——	[(1S,2S,3R,4R,7S,8S,10R,13S)-4-acetyloxy-1-hydroxy-4,8,12,15,15-pentamethyl-5,9-dioxo-7,10,13-tris(triethylsilyloxy)-2-tricyclo[9.3.1.03,8]pentadec-11-enyl] benzoate	892859-23-3	C₄₇H₇₈O₁₀Si₃	887.387
——	7,10,13-tris(triethylsilyl)-2-debenzoyl-2-(2-allyloxybenzoyl)-10-deacetylbaccatin III	237762-06-0	C₅₀H₈₂O₁₁Si₃	943.451
——	(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-11-((dimethylsilyl)oxy)-4a,8,13,13-tetramethyl-5-oxo-4,6,9-tris((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 3-methoxybenzoate	941672-24-8	C₅₀H₈₆O₁₁Si₄	975.568
——	(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acryloyloxy)-11-((dimethylsilyl)oxy)-4a,8,13,13-tetramethyl-5-oxo-4,6,9-tris((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 3-methoxybenzoate	941672-26-0	C₅₁H₈₆O₁₁Si₄	987.579
——	(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12-((3-(but-3-en-1-yl)benzoyl)oxy)-9,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-((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	286932-89-6	C₄₁H₅₈O₁₁Si	754.99
——	(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12-((2-allylbenzoyl)oxy)-9,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-((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	286932-90-9	C₄₀H₅₆O₁₁Si	740.964
——	(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-11-((dimethylsilyl)oxy)-12b-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4,6,9-tris((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 3-methoxybenzoate	941672-25-9	C₄₈H₈₄O₁₀Si₄	933.531
——	[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-12-acetyloxy-1,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-4-prop-2-enoyloxy-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-methoxybenzoate