(1E,3S,5Z,10S,11S,12R,13R)-11-((tert-butyldimethylsilyl)oxy)-2,6,10,12,14,14-hexamethyl-1-(2-methylthiazol-4-yl)-15-oxo-13-((triphenylsilyl)oxy)pentadeca-1,5-dien-3-yl acetate | 189453-30-3

分子结构分类

有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质

中文名称

——

中文别名

——

英文名称

(1E,3S,5Z,10S,11S,12R,13R)-11-((tert-butyldimethylsilyl)oxy)-2,6,10,12,14,14-hexamethyl-1-(2-methylthiazol-4-yl)-15-oxo-13-((triphenylsilyl)oxy)pentadeca-1,5-dien-3-yl acetate

英文别名

——

(1E,3S,5Z,10S,11S,12R,13R)-11-((tert-butyldimethylsilyl)oxy)-2,6,10,12,14,14-hexamethyl-1-(2-methylthiazol-4-yl)-15-oxo-13-((triphenylsilyl)oxy)pentadeca-1,5-dien-3-yl acetate化学式

CAS

189453-30-3

化学式

C₅₁H₇₁NO₅SSi₂

mdl

——

分子量

866.365

InChiKey

PCVZEABAUXASOO-DXCZBWTRSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

11.23
重原子数：

60.0
可旋转键数：

21.0
环数：

4.0
sp3杂化的碳原子比例：

0.47
拓扑面积：

74.72
氢给体数：

0.0
氢受体数：

7.0

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
——	[(1E,3S,5Z,10S,11S,12R,13R)-11-[tert-butyl(dimethyl)silyl]oxy-15,15-dimethoxy-2,6,10,12,14,14-hexamethyl-1-(2-methyl-1,3-thiazol-4-yl)-13-triphenylsilyloxypentadeca-1,5-dien-3-yl] acetate	189453-27-8	C₅₃H₇₇NO₆SSi₂	912.434
——	(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-(1,3-dithian-2-yl)-2,4,6-trimethyl-5-triphenylsilyloxyheptanal	186692-60-4	C₃₈H₅₄O₃S₂Si₂	679.148
——	tert-butyl-[(4S,5S,6R,7R)-9,9-dimethoxy-4,6,8,8-tetramethyl-7-triphenylsilyloxynon-1-en-5-yl]oxy-dimethylsilane	186692-63-7	C₃₉H₅₈O₄Si₂	647.058
——	tert-butyl-[(4S,5S,6R,7R)-8-(1,3-dithian-2-yl)-4,6,8-trimethyl-7-triphenylsilyloxynon-1-en-5-yl]oxy-dimethylsilane	186692-62-6	C₄₀H₅₈O₂S₂Si₂	691.202
——	(3S,4S,5R,6R)-4-(tert-Butyl-dimethyl-silanyloxy)-7-[1,3]dithian-2-yl-3,5,7-trimethyl-6-triphenylsilanyloxy-octanal	186692-75-1	C₃₉H₅₆O₃S₂Si₂	693.175
——	(3R,4R,5S)-3-(2-(1,3-dithian-2-yl)propan-2-yl)-5-((S)-4-methoxybut-3-en-2-yl)-4,7,7,8,8-pentamethyl-1,1,1-triphenyl-2,6-dioxa-1,7-disilanonane	186692-61-5	C₄₀H₅₈O₃S₂Si₂	707.202
——	(2S,3S,4R,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-6-[1,3]dithian-2-yl-2,4,6-trimethyl-5-triphenylsilanyloxy-heptan-1-ol	186692-74-0	C₃₈H₅₆O₃S₂Si₂	681.164
——	tert-butyl-[(2S,3S,4R,5R)-6-(1,3-dithian-2-yl)-2,4,6-trimethyl-1-phenylmethoxy-5-triphenylsilyloxyheptan-3-yl]oxy-dimethylsilane	186692-59-1	C₄₅H₆₂O₃S₂Si₂	771.288
——	(1E,3S,5Z)-6-iodo-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1,5-heptadien-3-yl acetate	189453-18-7	C₁₄H₁₈INO₂S	391.273

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	(4R,6R,7R,8S,9S,13Z,16S)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-6-triphenylsilyloxy-1-oxacyclohexadec-13-en-2-one	189453-47-2	C₅₁H₇₁NO₅SSi₂	866.365
——	(4S,6R,7R,8S,9S,13Z,16S)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-6-triphenylsilyloxy-1-oxacyclohexadec-13-en-2-one	189453-43-8	C₅₁H₇₁NO₅SSi₂	866.365
——	(Z)-(6R,7R,8S,9S,16S)-8-(tert-Butyl-dimethyl-silanyloxy)-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methyl-thiazol-4-yl)-vinyl]-6-triphenylsilanyloxy-oxacyclohexadec-13-ene-2,4-dione	189453-32-5	C₅₁H₆₉NO₅SSi₂	864.35
——	(Z)-(4S,6R,7S,8S,9S,16S)-8-(tert-Butyl-dimethyl-silanyloxy)-4,6-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methyl-thiazol-4-yl)-vinyl]-oxacyclohexadec-13-en-2-one	189453-51-8	C₃₃H₅₇NO₅SSi	607.971
——	(4S,6R,7S,8S,9S,16S,Z)-4,8-bis((tert-butyldimethylsilyl)oxy)-6-hydroxy-5,5,7,9,13-pentamethyl-16-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)oxacyclohexadec-13-en-2-one	189453-54-1	C₃₉H₇₁NO₅SSi₂	722.233
(4S,7R,8S,9S,13Z,16S)-4,8-二-{[叔-丁基(二甲基)硅烷基]氧基}-5,5,7,9,13-五甲基-16-[(E)-1-甲基-2-(2-甲基-1,3-噻唑-4-基)乙烯基]氧代环己癸-13-烯-2,6-二酮	(4S,7R,8S,9S,13Z,16S)-4,8-bis{[tert-butyl(dimethyl)silyl]oxy}-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]oxacyclohexadec-13-ene-2,6-dione	189453-35-8	C₃₉H₆₉NO₅SSi₂	720.218
埃博霉素