百科

醉茄素 A

醉茄素 A

CAS号：5119-48-2

英文名：withaferin A

分子式

C28H38O6

熔点

252-253ºC

密度

1.28g/cm3

分子量

470.598

沸点

680.7ºC at 760 mmHg

溶解度

信号词

危险品标志

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化合物简介

Withaferin A is a steroidal lactone, derived from Acnistus arborescens, Withania somnifera (Indian Winter cherry or Ashwagandha in Sanskrit) and other members of Solanaceae family. It has been traditionally used in the ayurvedic medicine. It is the first member of the withanolide class of ergostane type product to be discovered. This natural product has wide range of pharmacological activities including cardioprotective, anti-inflammatory, immuno-modulatory, anti-angiogenesis, anti-metastasis and anti-carcinogenic properties.

基本信息

中文名称

醉茄素 A

英文名称

withaferin A

中文别名

醉茄素A

英文别名

Withaferin A、5,6-Epoxy-4,27-dihydroxy-1-oxowitha-2,24-dienolide,Withaferine A

CAS号

5119-48-2

分子式

C28H38O6

分子量

470.598

精确质量

470.267

PSA

96.36

LOGP

3.3529

编号系统

UNII

L6DO3QW4K5

物化性质

密度

1.28g/cm3

沸点

680.7ºC at 760 mmHg

熔点

252-253ºC

闪点

226.7ºC

折射率

1.599

储存条件

Desiccate at -20ºC

合成路线

共找到1条合成路线 >

(6R)-6-((1S)-1-((4S,8S,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-1-oxo-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one

(6R)-6-((1S)-1-((4S,8S,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-1-oxo-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one

醉茄素 A

上游原料

共找到7个上游原料 >

甲瓦龙酸内酯

甲瓦龙酸内酯

(3R,4aR,5aS,6aS,6bS,9aS,11aS,11bR)-3-((tert-butyldimethylsilyl)oxy)-9-((S)-1-((R)-5-(((tert-butyldimethylsilyl)oxy)methyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyltetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(2H)-one

(3R,4aR,5aS,6aS,6bS,9aS,11aS,11bR)-3-((tert-butyldimethylsilyl)oxy)-9-((S)-1-((R)-5-(((tert-butyldimethylsilyl)oxy)methyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyltetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(2H)-one

(6R)-6-((1S)-1-((1S,3R,8S,9S,10R,13S,14S)-3-((tert-butyldimethylsilyl)oxy)-1-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one

(6R)-6-((1S)-1-((1S,3R,8S,9S,10R,13S,14S)-3-((tert-butyldimethylsilyl)oxy)-1-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one

(6R)-6-((1S)-1-((6R,8S,9S,10R,13S,14S)-10,13-dimethyl-1-oxo-6-(phenylthio)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one

(6R)-6-((1S)-1-((6R,8S,9S,10R,13S,14S)-10,13-dimethyl-1-oxo-6-(phenylthio)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one

(6R)-6-((1S)-1-((4S,8S,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-1-oxo-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one

(6R)-6-((1S)-1-((4S,8S,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-1-oxo-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one

(6R)-6-((1S)-1-((1S,3S,4aR,5aS,6aS,6bS,9aS,11aS,11bS)-3-((tert-butyldimethylsilyl)oxy)-1-hydroxy-9a,11b-dimethylhexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-9-yl)ethyl)-3-(((tert-butyldimethylsilyl)oxy)methyl)-4-methyl-5,6-dihydro-2H-pyran-2-one

(6R)-6-((1S)-1-((1S,3S,4aR,5aS,6aS,6bS,9aS,11aS,11bS)-3-((tert-butyldimethylsilyl)oxy)-1-hydroxy-9a,11b-dimethylhexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-9-yl)ethyl)-3-(((tert-butyldimethylsilyl)oxy)methyl)-4-methyl-5,6-dihydro-2H-pyran-2-one

下游产品

共找到2个下游商品 >

27-O-acetyl-withaferin A

27-O-acetyl-withaferin A

Withaferin-A diacetate

Withaferin-A diacetate

上游原料

甲瓦龙酸内酯 (3R,4aR,5aS,6aS,6bS,9aS,11aS,11bR)-3-((tert-butyldimethylsilyl)oxy)-9-((S)-1-((R)-5-(((tert-butyldimethylsilyl)oxy)methyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyltetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(2H)-one (6R)-6-((1S)-1-((1S,3R,8S,9S,10R,13S,14S)-3-((tert-butyldimethylsilyl)oxy)-1-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one (6R)-6-((1S)-1-((6R,8S,9S,10R,13S,14S)-10,13-dimethyl-1-oxo-6-(phenylthio)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one (6R)-6-((1S)-1-((4S,8S,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-1-oxo-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one (6R)-6-((1S)-1-((1S,3S,4aR,5aS,6aS,6bS,9aS,11aS,11bS)-3-((tert-butyldimethylsilyl)oxy)-1-hydroxy-9a,11b-dimethylhexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-9-yl)ethyl)-3-(((tert-butyldimethylsilyl)oxy)methyl)-4-methyl-5,6-dihydro-2H-pyran-2-one (6R)-6-((1S)-1-((3R,5R,6R,8S,9S,10R,13S,14S)-3-((tert-butyldimethylsilyl)oxy)-5-hydroxy-10,13-dimethyl-1-oxo-6-(phenylthio)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-3-(((tert-butyldimethylsilyl)oxy)methyl)-4-methyl-5,6-dihydro-2H-pyran-2-one

下游产品

27-O-acetyl-withaferin A Withaferin-A diacetate