(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 | 1315567-66-8

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,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

英文别名

(1S,2R,3R,7R,8R,9S,11R,12S,13R,14R)-12-bromo-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-5,5-dimethyl-13-(2-phenylethynyl)-8-phenylmethoxy-14-prop-2-enyl-4,6,15-trioxatetracyclo[9.3.1.01,9.03,7]pentadecan-13-ol

(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化学式

CAS

1315567-66-8

化学式

C₄₁H₅₃BrO₆Si

mdl

——

分子量

749.858

InChiKey

GDEIFTGFNMWNAS-NKFWZUOGSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

8.2
重原子数：

49
可旋转键数：

12
环数：

6.0
sp3杂化的碳原子比例：

0.56
拓扑面积：

66.4
氢给体数：

1
氢受体数：

6

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
——	(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,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,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,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
——	2-((R)-1-((4R,5R)-5-((R)-1-(Benzyloxy)allyl)-2,2-dimethyl-1,3-dioxolan-4-yl)allyl)-3-((tert-butyldimethylsilyl)oxy)-6-(((tert-butyldimethylsilyl)oxy)methyl)-4H-pyran-4-one	1315567-72-6	C₃₆H₅₆O₇Si₂	657.007

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	(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,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	C₄₃H₅₈O₁₀Si	763.013
——	[(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
——	(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,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
——	des-epoxy-yuanhuapin	1315567-63-5	C₂₉H₃₄O₉	526.584
——	(1S,2S,4S,5S,9R,10R,12R,15R,17S,18R,19R,20R,22R,25R)-19-hydroxy-12,22-bis(4-methoxyphenyl)-4-methyl-18-phenylmethoxy-19-prop-1-en-2-yl-6,8,11,13,21,23,26-heptaoxaheptacyclo[13.10.1.01,17.02,9.05,9.010,15.020,25]hexacosan-7-one	1315567-64-6	C₄₄H₄₈O₁₂	768.858
——	(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
——	(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
——