((3aR,5aS,6R,7S,8R,9R,9aR,9bS,11S,12S,12aS)-6-(benzoyloxy)-12-((tert-Butyldimethylsilyl)oxy)-7,8,9a-trihydroxy-2,2,9,11-tetramethyl-7-(prop-1-en-2-yl)-5a,6,7,8,9,9a,9b,10,11,12-decahydro-3aH-benzo[7,8]azuleno[3a,4-d][1,3]dioxol-4-yl)methyl benzoate | 1315567-80-6

分子结构分类

有机化合物 - 苯类化合物 - 苯和取代衍生物

中文名称

——

中文别名

——

英文名称

((3aR,5aS,6R,7S,8R,9R,9aR,9bS,11S,12S,12aS)-6-(benzoyloxy)-12-((tert-Butyldimethylsilyl)oxy)-7,8,9a-trihydroxy-2,2,9,11-tetramethyl-7-(prop-1-en-2-yl)-5a,6,7,8,9,9a,9b,10,11,12-decahydro-3aH-benzo[7,8]azuleno[3a,4-d][1,3]dioxol-4-yl)methyl benzoate

英文别名

[(1R,2S,4S,5S,6S,10R,13S,14R,15S,16R,17R)-14-benzoyloxy-5-[tert-butyl(dimethyl)silyl]oxy-1,15,16-trihydroxy-4,8,8,17-tetramethyl-15-prop-1-en-2-yl-7,9-dioxatetracyclo[11.4.0.02,6.06,10]heptadec-11-en-11-yl]methyl benzoate

((3aR,5aS,6R,7S,8R,9R,9aR,9bS,11S,12S,12aS)-6-(benzoyloxy)-12-((tert-Butyldimethylsilyl)oxy)-7,8,9a-trihydroxy-2,2,9,11-tetramethyl-7-(prop-1-en-2-yl)-5a,6,7,8,9,9a,9b,10,11,12-decahydro-3aH-benzo[7,8]azuleno[3a,4-d][1,3]dioxol-4-yl)methyl benzoate化学式

CAS

1315567-80-6

化学式

C₄₃H₅₈O₁₀Si

mdl

——

分子量

763.013

InChiKey

FIPOWCFYWZPSCL-ZCDNSERDSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

6.61
重原子数：

54
可旋转键数：

11
环数：

6.0
sp3杂化的碳原子比例：

0.58
拓扑面积：

141
氢给体数：

3
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
——	[(1R,2S,4S,5S,6S,10R,13S,14R,18S,19R,20R)-5-[(tert-Butyldimethylsilyl)oxy]-1,19-dihydroxy-4,8,8,20-tetramethyl-16-oxo-18-(prop-1-en-2-yl)-7,9,15,17-tetraoxapentacyclo[11.7.0.02,6.06,10.014,18]icos-11-en-11-yl]methyl acetate	1315567-79-3	C₃₂H₅₀O₁₀Si	622.828
——	(3aR,5aS,6R,7S,8R,9R,9aR,9bS,11S,12S,12aS)-12-((tert-Butyldimethylsilyl)oxy)-4-(hydroxymethyl)-2,2,9,11-tetramethyl-7-(prop-1-en-2-yl)-5a,6,7,8,9,9a,9b,10,11,12-decahydro-3aH-benzo[7,8]azuleno[3a,4-d][1,3]dioxole-6,7,8,9a-tetraol	1315567-98-6	C₂₉H₅₀O₈Si	554.797
——	(1R,2S,4S,5S,6S,10R,13S,14R,18S,19R,20R)-5-[(tert-Butyldimethylsilyl)oxy]-1,19-dihydroxy-4,8,8,20-tetramethyl-11-methylidene-18-(prop-1-en-2-yl)-7,9,15,17-tetraoxapentacyclo[11.7.0.02,6.06,10.014,18]icosan-16-one	1315567-97-5	C₃₀H₄₈O₈Si	564.792
——	(3aR,4R,4aS,5S,8S,9aS,10R,10aR)-5-Allyl-10-(benzyloxy)-6-((tert-butyldimethylsilyl)oxy)-8-(((tert-butyldimethylsilyl)oxy)methyl)-2,2-dimethyl-4-vinyl-3a,4,5,8,9,9a,10,10a-octahydro-4a,8-epoxycyclohepta[4,5]benzo[1,2-d][1,3]dioxol-5-ol	1315567-82-8	C₃₉H₆₂O₇Si₂	699.088
——	(3aR,3bS,6R,6aS,7S,8S,9aS,9bR,10R,11R,11aS)-7-((tert-Butyldimethylsilyl)oxy)-6,6a,9b,11-tetrahydroxy-8,10-dimethyl-5-methylene-11a-(prop-1-en-2-yl)tetradecahydroazuleno[5',4':3,4]benzo[1,2-d][1,3]dioxol-2-one	1315567-77-1	C₂₇H₄₄O₈Si	524.727
——	(3aR,3bS,5R,6S,6aS,7S,8S,9aR,9bS,10R,11R,11aS)-7-((tert-butyldimethylsilyl)oxy)-6,6a,11-trihydroxy-5,10-bis(hydroxymethyl)-8-methyl-11a-(prop-1-en-2-yl)dodecahydro-3aH-5,9b-epoxyazuleno[5',4':3,4]benzo[1,2-d][1,3]dioxol-2-one	1315567-76-0	C₂₇H₄₄O₁₀Si	556.726
——	(((3aR,4R,4aS,7R,8R,9aS,10R,10aR)-5-Allyl-10-(benzyloxy)-7-bromo-6-((tert-butyldimethylsilyl)oxy)-2,2-dimethyl-4-vinyl-3a,4,7,8,9,9a,10,10a-octahydro-4a,8-epoxycyclohepta[4,5]benzo[1,2-d][1,3]dioxol-8-yl)methoxy)(tert-butyl)dimethylsilane	1315567-73-7	C₃₉H₆₁BrO₆Si₂	761.985
——	(3aR,4R,4aS,8S,9aS,10R,10aR)-10-(Benzyloxy)-6-((tert-butyldimethylsilyl)oxy)-8-(((tert-butyldimethylsilyl)oxy)methyl)-2,2-dimethyl-4-vinyl-3a,4,9,9a,10,10a-hexahydro-4a,8-epoxycyclohepta[4,5]benzo[1,2-d][1,3]dioxol-5(8H)-one	1315567-67-9	C₃₆H₅₆O₇Si₂	657.007
——	(3aR,3bS,5S,6S,6aS,7S,8S,9aR,9bR,10R,11R,11aS)-7-((tert-Butyldimethylsilyl)oxy)-6,6a,11-trihydroxy-5,10-bis(iodomethyl)-8-methyl-11a-(prop-1-en-2-yl)dodecahydro-3aH-5,9b-epoxyazuleno[5',4':3,4]benzo[1,2-d][1,3]dioxol-2-one	1315567-95-3	C₂₇H₄₂I₂O₈Si	776.52
——	(2S,3S,3aR,4S,5R,6aS,7R,7aR,10aR,11R,11aS,11bR)-7-(Benzyloxy)-5-(((tert-butyldimethylsilyl)oxy)methyl)-11-(hydroxymethyl)-2,9,9-trimethyldodecahydro-1H-5,11a-epoxyazuleno[4',5':4,5]benzo[1,2-d][1,3]dioxole-3,3a,4-triol	1315567-74-8	C₃₃H₅₂O₉Si	620.856
——	(3aR,4R,4aS,5S,7R,8R,9aS,10R,10aR)-5-Allyl-10-(benzyloxy)-7-bromo-8-(((tert-butyldimethylsilyl)oxy)methyl)-2,2-dimethyl-4-vinyloctahydro-4a,8-epoxycyclohepta[4,5]benzo[1,2-d][1,3]dioxol-6(5H)-one	1315567-83-9	C₃₃H₄₇BrO₆Si	647.722
——	(3aR,4R,4aS,5R,6R,7S,8R,9aS,10R,10aR)-5-Allyl-10-(benzyloxy)-7-bromo-8-(((tert-butyldimethylsilyl)oxy)methyl)-2,2-dimethyl-6-(phenylethynyl)-4-vinyldecahydro-4a,8-epoxycyclohepta[4,5]benzo[1,2-d][1,3]dioxol-6-ol