(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

分子结构分类

有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物

中文名称

——

中文别名

——

英文名称

(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

英文别名

(4S,7R,8S,9S,13Z,16S,1'E)-4,8-di-tert-butyldimethylsilyloxy-5,5,7,9-tetramethyl-16-[1-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-ethenyl]-1-oxa-13-cyclohexadecene-2,6-dione；(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-(13Z)-cyclohexadecen-2,6-dione；(4S,7R,8S,9S,16S)-4,8-bis-(tert-butyldimethylsilanyloxy)-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；(4S,7R,8S,9S,16S,Z)-4,8-bis((tert-butyldimethylsilyl)oxy)-5,5,7,9-tetramethyl-16-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)oxacyclohexadec-13-ene-2,6-dione；[4S-[4R*,7S*,8R*,9R*,16R*(E)]]-4,8-Bis(t-butyldimethylsilyloxy)-5,5,7,9-tetramethyl-16-[1-methyl-2-(2-methyl4-thiazolyl)ethenyl]-1-oxa-13(Z)-cyclohexadecene-2,6-dione；(4S,7R,8S,9S,13Z,16S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

(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化学式

CAS

186692-84-2

化学式

C₃₈H₆₇NO₅SSi₂

mdl

——

分子量

706.191

InChiKey

ZIYIISFULYVYCJ-POCVSMFNSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

690.0±55.0 °C(Predicted)
密度：

1.01±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

10.94
重原子数：

47
可旋转键数：

8
环数：

2.0
sp3杂化的碳原子比例：

0.76
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
——	(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	C₄₀H₇₁NO₅SSi₂	734.244
——	(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-bis-(tert-butyldimethylsilanyloxy)-4,4,6,8-tetramethyl-5-oxo-tetradec-12-ynoic 1-[(1S,1E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)-vinyl]-pent-3-ynyl ester	360046-61-3	C₄₂H₇₁NO₅SSi₂	758.266
——	(4S,7R,8S,9S,16S)-4,8-bis-(tert-butyldimethylsilanyloxy)-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-vinyl]-1-oxacyclohexadec-13-yne-2,6-dione	360046-62-4	C₃₈H₆₅NO₅SSi₂	704.175
——	(4S,6R,7S,8S,9S,13Z,16S)-8-[tert-butyl(dimethyl)silyl]oxy-4,6-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-en-2-one	186692-82-0	C₃₂H₅₅NO₅SSi	593.944
——	(3S,6R,7S,8S,12Z,15S,16E)-3,7-bis(tert-butyldimethylsilyloxy)-15-hydroxy-4,4,6,8,16-pentamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxo-heptadeca-12,16-dienoic acid	188730-19-0	C₃₈H₆₉NO₆SSi₂	724.206
埃博霉素C	desoxyepothilone A	186692-73-9	C₂₆H₃₉NO₅S	477.665
——	(3S,6R,7S,8S,12Z,15S,16E)-3,7,15-tris(tert-butyldimethylsilyloxy)-4,4,6,8,16-pentamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxo-heptadeca-12,16-dienoic acid	188730-18-9	C₄₄H₈₃NO₆SSi₃	838.469
——	(4S,6R,7R,8S,9S,13Z,16S)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-6-triphenylsilyloxy-1-oxacyclohexadec-13-en-2-one	186692-71-7	C₅₀H₆₉NO₅SSi₂	852.339
——	[(1E,3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-yl] (3S,5R,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4,6,8-tetramethyl-3-triethylsilyloxy-5-triphenylsilyloxytridec-12-enoate	188259-73-6	C₅₈H₈₇NO₅SSi₃	994.655
西洛他唑	epithilone A	152044-53-6	C₂₆H₃₉NO₆S	493.665
——	[(1E,3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-yl] (3R,5R,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4,6,8-tetramethyl-5-triphenylsilyloxytridec-12-enoate	188259-71-4	C₅₂H₇₃NO₅SSi₂	880.392
——	[(1E,3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-yl] (3S,5R,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4,6,8-tetramethyl-5-triphenylsilyloxytridec-12-enoate	188259-68-9	C₅₂H₇₃NO₅SSi₂	880.392
——	4-[(1E,5Z)-(3S,10S)-3,11-Bis-(tert-butyl-dimethyl-silanyloxy)-2,10-dimethyl-undeca-1,5-dienyl]-2-methyl-thiazole	188730-11-2	C₂₉H₅₅NO₂SSi₂	537.998
——	(2R,3S,10S,7Z,11E)-(tert-butyldimethylsilyloxy)-3,11-dimethyl-12-(2-methyl-1,3-thiazol-4-yl)dodeca-7,11-diene-1,2-diol	188730-13-4	C₂₃H₃₉NO₂SSi	421.72
——	(6Z,10E)-(2S,9S)-9-(tert-Butyl-dimethyl-silanyloxy)-2,10-dimethyl-11-(2-methyl-thiazol-4-yl)-undeca-6,10-dien-1-ol	188730-12-3	C₂₃H₄₁NO₂SSi	423.736
——	(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)-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)-1,3-Di-(tert-butyldimethylsilyloxy)-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)-4-pentene	188899-13-0	C₂₂H₄₃NO₂SSi₂	441.826
——	(3S,6R,7S,8S)-phenyl 3,7-di-tert-butyldimethylsilyloxy-4,4,6,8-tetramethyl-5-oxo-10-undecenoate	262375-53-1	C₃₃H₅₈O₅Si₂