(1S,8S,11Z,13E,17S,20S,21S,24R,25S,32S,35Z,37E,41S,44S,45S,48R)-17,41-bis(methoxymethoxy)-3,3,8,20,24,27,27,32,44,48-decamethyl-2,4,7,26,28,31,49,50-octaoxapentacyclo[43.3.1.121,25.01,5.025,29]pentaconta-11,13,35,37-tetraene-6,19,30,43-tetrone | 668461-21-0

分子结构分类

有机化合物 - 有机氧化合物

中文名称

——

中文别名

——

英文名称

(1S,8S,11Z,13E,17S,20S,21S,24R,25S,32S,35Z,37E,41S,44S,45S,48R)-17,41-bis(methoxymethoxy)-3,3,8,20,24,27,27,32,44,48-decamethyl-2,4,7,26,28,31,49,50-octaoxapentacyclo[43.3.1.121,25.01,5.025,29]pentaconta-11,13,35,37-tetraene-6,19,30,43-tetrone

英文别名

——

(1S,8S,11Z,13E,17S,20S,21S,24R,25S,32S,35Z,37E,41S,44S,45S,48R)-17,41-bis(methoxymethoxy)-3,3,8,20,24,27,27,32,44,48-decamethyl-2,4,7,26,28,31,49,50-octaoxapentacyclo[43.3.1.121,25.01,5.025,29]pentaconta-11,13,35,37-tetraene-6,19,30,43-tetrone化学式

CAS

668461-21-0

化学式

C₅₆H₈₈O₁₆

mdl

——

分子量

1017.31

InChiKey

WLHURDIWPSGFAT-VDTKFVGFSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

9.5
重原子数：

72
可旋转键数：

6
环数：

5.0
sp3杂化的碳原子比例：

0.79
拓扑面积：

179
氢给体数：

0
氢受体数：

16

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,8S,11Z,13E,17S,20R,21S,24R,25S,32S,35Z,37E,41S,44R,45S,48R)-19,43-dihydroxy-17,41-bis(methoxymethoxy)-3,3,8,20,24,27,27,32,44,48-decamethyl-2,4,7,26,28,31,49,50-octaoxapentacyclo[43.3.1.121,25.01,5.025,29]pentaconta-11,13,35,37-tetraene-6,30-dione	251092-00-9	C₅₆H₉₂O₁₆	1021.34
——	methyl (5S,6R,9S)-9-[(2R,5S,8E,10Z,14S)-14-[(5S,6R,9S)-9-[(2R,5S,8E,10Z,14S)-3,14-dihydroxy-5-(methoxymethoxy)pentadeca-8,10-dien-2-yl]-2,2,6-trimethyl-1,3,10-trioxaspiro[4.5]decane-4-carbonyl]oxy-3-hydroxy-5-(methoxymethoxy)pentadeca-8,10-dien-2-yl]-2,2,6-trimethyl-1,3,10-trioxaspiro[4.5]decane-4-carboxylate	251091-98-2	C₅₇H₉₆O₁₇	1053.38
——	(5S,6R,9S)-9-[(2R,5S,8E,10Z,14S)-14-[(5S,6R,9S)-9-[(2R,5S,8E,10Z,14S)-3,14-dihydroxy-5-(methoxymethoxy)pentadeca-8,10-dien-2-yl]-2,2,6-trimethyl-1,3,10-trioxaspiro[4.5]decane-4-carbonyl]oxy-3-hydroxy-5-(methoxymethoxy)pentadeca-8,10-dien-2-yl]-2,2,6-trimethyl-1,3,10-trioxaspiro[4.5]decane-4-carboxylic acid	251091-99-3	C₅₆H₉₄O₁₇	1039.35
——	methyl (5S,7S,10R)-2,2,10-trimethyl-7-{(1S)-1-methyl-2-oxoprop-1-yl}-1,3,6-trioxaspiro[4.5]decan-4-carboxylate	250789-03-8	C₁₆H₂₆O₆	314.379
——	methyl (5S,7S,10R)-2,2,10-trimethyl-7-{(1R,4S,7E,9Z,13S)-2,13-dihydroxy-4-methoxymethyloxy-1-methyl-tetradeca-7,9-dien-1-yl}-1,3,6-trioxaspiro[4.5]decan-4-carboxylate	250789-08-3	C₂₉H₅₀O₉	542.711
——	methyl (5S,7S,10R)-2,2,10-trimethyl-7-{(1S,4S,7E,9Z,13S)-13-(tert-butyl(dimethyl)silyloxy)-4-methoxymethoxy-1-methyl-2-oxo-tetradeca-7,9-dien-1-yl}-1,3,6-trioxaspiro[4.5]decan-4-carboxylate	250789-06-1	C₃₅H₆₂O₉Si	654.957
——	methyl (5S,7S,10R)-2,2,10-trimethyl-7-{(1S,4S,7E,9Z,13S)-4-hydroxy-1-methyl-2-oxo-13-(tert-butyl(dimethyl)silyloxy)tetradeca-7,9-dien-1-yl}-1,3,6-trioxaspiro[4.5]decan-4-carboxylate	250789-05-0	C₃₃H₅₈O₈Si	610.904
——	methyl (5S,6R,9S)-9-[(2R,5S,8E,10Z,14S)-14-[(5S,6R,9S)-9-[(2R,5S,8E,10Z,14S)-14-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-(methoxymethoxy)pentadeca-8,10-dien-2-yl]-2,2,6-trimethyl-1,3,10-trioxaspiro[4.5]decane-4-carbonyl]oxy-3-hydroxy-5-(methoxymethoxy)pentadeca-8,10-dien-2-yl]-2,2,6-trimethyl-1,3,10-trioxaspiro[4.5]decane-4-carboxylate	251091-97-1	C₆₃H₁₁₀O₁₇Si	1167.64
——	methyl (5S,7S,10R)-2,2,10-trimethyl-7-{(1R,2R/S,4S,7E,9Z,13S)-13-(tert-butyl(dimethyl)silyloxy)-2-hydroxy-4-methoxymethoxy-1-methyl-tetradeca-7,9-dien-1-yl}-1,3,6-trioxaspiro[4.5]decan-4-carboxylate	250789-07-2	C₃₅H₆₄O₉Si	656.973
——	(5S,7S,10R)-7-[(7E,9Z)-(1R,4S,13S)-13-(tert-Butyl-dimethyl-silanyloxy)-2-hydroxy-4-methoxymethoxy-1-methyl-tetradeca-7,9-dienyl]-2,2,10-trimethyl-1,3,6-trioxa-spiro[4.5]decane-4-carboxylic acid	1026453-78-0	C₃₄H₆₂O₉Si	642.946
——	methyl (4R,7S,8R)-4,8-dimethyl-2,5-di(tetrahydropyran-2-yloxy)-3-hydroxydec-9-enoate	251091-94-8	C₂₃H₄₀O₇	428.566
——	methyl (4R,7S,8R)-4,8-dimethyl-2,5-di(tetrahydropyran-2-yloxy)-3,9-dioxodecanoate	251091-96-0	C₂₃H₃₈O₈	442.55
——	methyl (4R,7S,8R)-4,8-dimethyl-2,5-di(tetrahydropyran-2-yloxy)-3-oxodec-9-enoate	251091-95-9	C₂₃H₃₈O₇	426.551

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	tartrolon A1, A2, A3	669008-76-8	C₄₆H₇₂O₁₄	849.069

反应信息

作为反应物：

描述：

(1S,8S,11Z,13E,17S,20S,21S,24R,25S,32S,35Z,37E,41S,44S,45S,48R)-17,41-bis(methoxymethoxy)-3,3,8,20,24,27,27,32,44,48-decamethyl-2,4,7,26,28,31,49,50-octaoxapentacyclo[43.3.1.121,25.01,5.025,29]pentaconta-11,13,35,37-tetraene-6,19,30,43-tetrone 在 Sodium tetraborate decahydrate 、二甲基溴化硼作用下，以甲醇、二氯甲烷为溶剂，反应 10.0h，生成 tartrolon B

参考文献：

名称：

Total Synthesis of Tartrolon B

摘要：

DOI：

10.1021/ja9919433
作为产物：

描述：

R-5-叔丁基二甲基硅氧基-4-甲基戊酸甲酯在吡啶、 4-二甲氨基吡啶、 barium dihydroxide 、 sodium tetrahydroborate 、草酰氯、 C₆H₂Cl₃COCl 、 chiral Ti 、 Na₂HPO₄ buffer 、 camphor-10-sulfonic acid 、氢氟酸、 phosphorus pentoxide 、 4-甲基苯磺酸吡啶、二异丁基氢化铝、二甲基亚砜、三乙胺、 N,N-二异丙基乙胺、 (-)-diisopinocamphenylborane chloride 、 palladium dichloride 、 lithium diisopropyl amide 作用下，以四氢呋喃、甲醇、乙醚、二氯甲烷、 N,N-二甲基甲酰胺、甲苯为溶剂，反应 59.25h，生成 (1S,8S,11Z,13E,17S,20S,21S,24R,25S,32S,35Z,37E,41S,44S,45S,48R)-17,41-bis(methoxymethoxy)-3,3,8,20,24,27,27,32,44,48-decamethyl-2,4,7,26,28,31,49,50-octaoxapentacyclo[43.3.1.121,25.01,5.025,29]pentaconta-11,13,35,37-tetraene-6,19,30,43-tetrone

参考文献：

名称：

Total Synthesis of Tartrolon B

摘要：

DOI：

10.1021/ja9919433

点击查看最新优质反应信息

文献信息

Total Synthesis of Tartrolon B

作者：Markus Berger、Johann Mulzer

DOI：10.1021/ja9919433

日期：1999.9.1

(1S,8S,11Z,13E,17S,20S,21S,24R,25S,32S,35Z,37E,41S,44S,45S,48R)-17,41-bis(methoxymethoxy)-3,3,8,20,24,27,27,32,44,48-decamethyl-2,4,7,26,28,31,49,50-octaoxapentacyclo[43.3.1.121,25.01,5.025,29]pentaconta-11,13,35,37-tetraene-6,19,30,43-tetrone | 668461-21-0

分子结构分类

计算性质

上下游信息

反应信息

文献信息

同类化合物

相关结构分类

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