(1S)-1-[(E)-1-Methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-ethenyl]-3-butenyl (3S,6R,7S,8S)-3,7-di-[tert-butyldimethylsilyloxy]-4,4,6,8-tetramethyl-5-oxo-12-tridecenoate | 188259-76-9

分子结构分类

有机化合物 - 有机杂环化合物 - 唑类

中文名称

——

中文别名

——

英文名称

(1S)-1-[(E)-1-Methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-ethenyl]-3-butenyl (3S,6R,7S,8S)-3,7-di-[tert-butyldimethylsilyloxy]-4,4,6,8-tetramethyl-5-oxo-12-tridecenoate

英文别名

(3S,6R,7S,8S)-(S,E)-2-methyl-1-(2-methylthiazol-4-yl)hexa-1,5-dien-3-yl 3,7-bis((tertbutyldimethylsilyl)oxy)-4,4,6,8-tetramethyl-5-oxotridec-12-enoate；(3S,6R,7S,8S)-(S,E)-2-Methyl-1-(2-methylthiazol-4-yl)hexa-1,5-dien-3-yl 3,7-bis((tert-butyldimethylsilyl)oxy)-4,4,6,8-tetramethyl-5-oxotridec-12-enoate；[(1E,3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-yl] (3S,6R,7S,8S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxotridec-12-enoate

(1S)-1-[(E)-1-Methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-ethenyl]-3-butenyl (3S,6R,7S,8S)-3,7-di-[tert-butyldimethylsilyloxy]-4,4,6,8-tetramethyl-5-oxo-12-tridecenoate化学式

CAS

188259-76-9

化学式

C₄₀H₇₁NO₅SSi₂

mdl

——

分子量

734.244

InChiKey

HFUCXOYYSSSLMO-AHDACILMSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

681.9±55.0 °C(Predicted)
密度：

0.977±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

11.74
重原子数：

49
可旋转键数：

23
环数：

1.0
sp3杂化的碳原子比例：

0.72
拓扑面积：

103
氢给体数：

0
氢受体数：

7

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
——	(3S,6R,7S,8S)-(S,E)-2-methyl-1-(2-methylthiazol-4-yl)hexa-1,5-dien-3-yl 3-((tert-butyldimethylsilyl)oxy)-7-hydroxy-4,4,6,8-tetramethyl-5-oxotridec-12-enoate	187283-48-3	C₃₄H₅₇NO₅SSi	619.982
——	(3S,6R,7S,8S)-3,7-Di-(tert-butyldimethylsilyloxy)-4,4,6,8-tetramethyl-5-oxo-12-tridecenoic acid	188899-10-7	C₂₉H₅₈O₅Si₂	542.948
——	(3S,4E)-1,3-Di-(tert-butyldimethylsilyloxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-4-pentene	188899-13-0	C₂₂H₄₃NO₂SSi₂	441.826
——	(3S,4E)-3-{[tert-butyl(dimethyl)silyl]oxy}-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-al	188730-08-7	C₁₆H₂₇NO₂SSi	325.547
(-)-(3S,4E)-3-{[叔-丁基(二甲基)硅烷基]氧基}-4-甲基-5-(2-甲基-1,3-噻唑-4-基)戊-4-烯-1-醇	(3S,4E)-3-(tert-butyldimethylsilyloxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol	188899-14-1	C₁₆H₂₉NO₂SSi	327.563
——	(S)-2-methyl-4-([E]-2'-methyl-3'-(tert-butyldimethylsilanyloxy)hexa-1',5'-dienyl)thiazole	188730-05-4	C₁₇H₂₉NOSSi	323.575
——	(3S,6R,7S,8S)-3,7-Di-(tert-butyldimethylsilyloxy)-1-hydroxy-4,4,6,8-tetramethyl-12-tridecen-5-one	188899-09-4	C₂₉H₆₀O₄Si₂	528.964
——	(3S,6R,7S,8S)-1,3,7-Tri-(tert-butyldimethylsilyloxy)-4,4,6,8-tetramethyl-12-tridecen-5-one	188899-08-3	C₃₅H₇₄O₄Si₃	643.227

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	(4S,7R,8S,9S,16S)-4,8-bis(tert-butyldimethylsilyloxy)-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-vinyl]-(13Z)-1-oxacyclohexadec-13-ene-2,6-dione	186692-84-2	C₃₈H₆₇NO₅SSi₂	706.191
——	(4S,7R,8S,9S,16S)-4,8-Di-tert-butyldimethylsilyloxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-ethenyl]-1-oxa-(13E)-cyclohexadecen-2,6-dione	188260-22-2	C₃₈H₆₇NO₅SSi₂	706.191
——	(4S,7R,8S,9S,16S)-4,8-Di-tert-butyldimethylsilyloxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-ethenyl]-1-oxa-13-cyclohexadecen-2,6-dione	204194-92-3	C₃₈H₆₇NO₅SSi₂	706.191
埃博霉素C	desoxyepothilone A	186692-73-9	C₂₆H₃₉NO₅S	477.665
——	(4S,7R,8S,9S,16S)-4,8-Dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-ethenyl]-1-oxa-cyclohexadecen-13-en-2,6-dione	——	C₂₆H₃₉NO₅S	477.665
西洛他唑	epithilone A	152044-53-6	C₂₆H₃₉NO₆S	493.665
——	[1R,3S,7S,10R,11S,12S,16S]-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-1-[2-methylthiazol-4-yl]prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione	193071-75-9	C₂₆H₃₉NO₆S	493.665
——	(3S,6R,7S,8S)-3,7-Di-(tert-butyldimethylsilyloxy)-4,4,6,8-tetramethyl-5-oxo-12-tridecenoic acid	188899-10-7	C₂₉H₅₈O₅Si₂	542.948