2,2-Dimethyl-propionic acid (E)-(2S,3S)-6-[(2S,4S,6S,8R,9S)-8-((S)-sec-butyl)-4-(4-methoxy-benzyloxy)-9-methyl-1,7-dioxa-spiro[5.5]undec-10-en-2-yl]-2-methyl-4-oxo-3-(2-trimethylsilanyl-ethoxymethoxy)-hex-5-enyl ester | 125024-17-1

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

2,2-Dimethyl-propionic acid (E)-(2S,3S)-6-[(2S,4S,6S,8R,9S)-8-((S)-sec-butyl)-4-(4-methoxy-benzyloxy)-9-methyl-1,7-dioxa-spiro[5.5]undec-10-en-2-yl]-2-methyl-4-oxo-3-(2-trimethylsilanyl-ethoxymethoxy)-hex-5-enyl ester

英文别名

[(E,2S,3S)-6-[(2R,3S,6S,8S,10S)-2-[(2S)-butan-2-yl]-10-[(4-methoxyphenyl)methoxy]-3-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-methyl-4-oxo-3-(2-trimethylsilylethoxymethoxy)hex-5-enyl] 2,2-dimethylpropanoate

2,2-Dimethyl-propionic acid (E)-(2S,3S)-6-[(2S,4S,6S,8R,9S)-8-((S)-sec-butyl)-4-(4-methoxy-benzyloxy)-9-methyl-1,7-dioxa-spiro[5.5]undec-10-en-2-yl]-2-methyl-4-oxo-3-(2-trimethylsilanyl-ethoxymethoxy)-hex-5-enyl ester化学式

CAS

125024-17-1

化学式

C₄₀H₆₄O₉Si

mdl

——

分子量

717.028

InChiKey

PPWXSHKVSXLTNH-RBJIPMKLSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

8.14
重原子数：

50.0
可旋转键数：

18.0
环数：

3.0
sp3杂化的碳原子比例：

0.7
拓扑面积：

98.75
氢给体数：

0.0
氢受体数：

9.0

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
——	2,2-Dimethyl-propionic acid (2S,3S)-6-[(2S,4S,6R,8R,9S)-8-((S)-sec-butyl)-4-(4-methoxy-benzyloxy)-9-methyl-1,7-dioxa-spiro[5.5]undec-10-en-2-yl]-6-hydroxy-2-methyl-4-oxo-3-(2-trimethylsilanyl-ethoxymethoxy)-hexyl ester	125024-16-0	C₄₀H₆₆O₁₀Si	735.044
——	(2S,4S,6R,8R,9S)-8-((S)-sec-Butyl)-4-(4-methoxy-benzyloxy)-9-methyl-1,7-dioxa-spiro[5.5]undec-10-ene-2-carbaldehyde	125024-15-9	C₂₃H₃₂O₅	388.504
——	(Z)-(3S,4R,5S)-1-[(4S,6S)-6-Hydroxymethyl-2-methoxy-4-(4-methoxy-benzyloxy)-tetrahydro-pyran-2-yl]-3,5-dimethyl-hept-1-en-4-ol	119662-89-4	C₂₄H₃₈O₆	422.562
——	(3S,4R,5S)-1-[(4S,6S)-6-(hydroxymethyl)-2-methoxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]-3,5-dimethylhept-1-yn-4-ol	119662-88-3	C₂₄H₃₆O₆	420.546

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	2,2-Dimethyl-propionic acid (E)-(2S,3S)-6-[(2S,4S,6S,8R,9S)-8-((S)-sec-butyl)-4-(4-methoxy-benzyloxy)-9-methyl-1,7-dioxa-spiro[5.5]undec-10-en-2-yl]-4-hydroxy-2,4-dimethyl-3-(2-trimethylsilanyl-ethoxymethoxy)-hex-5-enyl ester	125024-18-2	C₄₁H₆₈O₉Si	733.071
——	2,2-Dimethyl-propionic acid (E)-(2S,3S)-6-benzenesulfinyl-6-[(2S,4S,6R,8R,9S)-8-((S)-sec-butyl)-4-(4-methoxy-benzyloxy)-9-methyl-1,7-dioxa-spiro[5.5]undec-10-en-2-yl]-2,4-dimethyl-3-(2-trimethylsilanyl-ethoxymethoxy)-hex-4-enyl ester	125024-19-3	C₄₇H₇₂O₉SSi	841.235
——	2,2-Dimethyl-propionic acid (E)-(2S,3S)-6-benzenesulfonyl-6-[(2S,4S,6R,8R,9S)-8-((S)-sec-butyl)-4-(4-methoxy-benzyloxy)-9-methyl-1,7-dioxa-spiro[5.5]undec-10-en-2-yl]-2,4-dimethyl-3-(2-trimethylsilanyl-ethoxymethoxy)-hex-4-enyl ester	125048-93-3	C₄₇H₇₂O₁₀SSi	857.234
——	(E)-(2R,3S)-6-[(2R,4S,6S,8R,9S)-8-((S)-sec-Butyl)-4-(tert-butyl-dimethyl-silanyloxy)-9-methyl-1,7-dioxa-spiro[5.5]undec-10-en-2-yl]-2,4-dimethyl-3-(2-trimethylsilanyl-ethoxymethoxy)-hex-4-enal	125024-24-0	C₃₄H₆₄O₆Si₂	625.05
——	(E,2S,3S)-6-[(2R,3S,6S,8R,10S)-2-[(2S)-butan-2-yl]-10-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-4-en-1-ol	125024-23-9	C₃₄H₆₆O₆Si₂	627.065
——	(2E,6E)-(4S,5S)-8-[(2R,4S,6S,8R,9S)-8-((S)-sec-Butyl)-4-(tert-butyl-dimethyl-silanyloxy)-9-methyl-1,7-dioxa-spiro[5.5]undec-10-en-2-yl]-4,6-dimethyl-5-(2-trimethylsilanyl-ethoxymethoxy)-octa-2,6-dienoic acid methyl ester	125024-25-1	C₃₇H₆₈O₇Si₂	681.114
——	(2E,6E)-(4S,5S)-8-[(2R,4S,6S,8R,9S)-8-((S)-sec-Butyl)-4-(tert-butyl-dimethyl-silanyloxy)-9-methyl-1,7-dioxa-spiro[5.5]undec-10-en-2-yl]-4,6-dimethyl-5-(2-trimethylsilanyl-ethoxymethoxy)-octa-2,6-dien-1-ol	125024-26-2	C₃₆H₆₈O₆Si₂	653.103
——	(2R,3S,6S,8R,10S)-2-((S)-sec-Butyl)-10-(tert-butyl-dimethyl-silanyloxy)-8-[(2E,6E)-(4S,5S)-8-chloro-3,5-dimethyl-4-(2-trimethylsilanyl-ethoxymethoxy)-octa-2,6-dienyl]-3-methyl-1,7-dioxa-spiro[5.5]undec-4-ene	125024-27-3	C₃₆H₆₇ClO₅Si₂	671.549
——	(2R,3S,6S,8R,10S)-8-[(2E,6E)-(4S,5S)-8-Benzenesulfonyl-3,5-dimethyl-4-(2-trimethylsilanyl-ethoxymethoxy)-octa-2,6-dienyl]-2-((S)-sec-butyl)-10-(tert-butyl-dimethyl-silanyloxy)-3-methyl-1,7-dioxa-spiro[5.5]undec-4-ene	125024-28-4	C₄₂H₇₂O₇SSi₂	777.266
——	avermectin B1a aglycon 5,13-bis<<2-(trimethylsilyl)ethoxy>methyl> ether	125133-05-3	C₄₆H₇₆O₁₀Si₂	845.274
——	2-epiavermectin B1a aglycon 5,13-bis<<2-(trimethylsilyl)ethoxy>methyl> ether	125024-37-5	C₄₆H₇₆O₁₀Si₂	845.274
——	2,2-Dimethyl-propionic acid (E)-(2S,3S)-6-benzenesulfonyl-6-[(2S,4S,6R,8R,9S)-8-((S)-sec-butyl)-4-hydroxy-9-methyl-1,7-dioxa-spiro[5.5]undec-10-en-2-yl]-2,4-dimethyl-3-(2-trimethylsilanyl-ethoxymethoxy)-hex-4-enyl ester	125024-20-6	C₃₉H₆₄O₉SSi	737.083
——	avermectin B1a aglycone	71828-14-3	C₃₄H₄₈O₈	584.75
——	2,2-Dimethyl-propionic acid (E)-(2S,3S)-6-benzenesulfonyl-6-[(2S,4S,6R,8R,9S)-8-((S)-sec-butyl)-4-(tert-butyl-dimethyl-silanyloxy)-9-methyl-1,7-dioxa-spiro[5.5]undec-10-en-2-yl]-2,4-dimethyl-3-(2-trimethylsilanyl-ethoxymethoxy)-hex-4-enyl ester	125024-21-7	C₄₅H₇₈O₉SSi₂	851.346
——	(E)-(2S,3S)-6-Benzenesulfonyl-6-[(2S,4S,6R,8R,9S)-8-((S)-sec-butyl)-4-(tert-butyl-dimethyl-silanyloxy)-9-methyl-1,7-dioxa-spiro[5.5]undec-10-en-2-yl]-2,4-dimethyl-3-(2-trimethylsilanyl-ethoxymethoxy)-hex-4-en-1-ol	125024-22-8	C₄₀H₇₀O₈SSi₂	767.228