CAS: 32911-62-9; Withanolide A

该化合物是一种自然产生的血清性活性内酯,被归类为无氮内酯,这是一种来自索拉纳塞亚家族的化合物,特别是来自常称为Hwagandha的Westania somnifera植物的化合物.该化合物展示了一系列生物活动,包括抗炎,抗氧化剂和潜在的抗癌特性.无氮A的特征是其独特的血清结构,其中包括一个环状百叶素氢苯乙烷核心和一个乳腺环.该化合物通常以晶状形式出现,在有机溶剂中溶解,但水溶解度有限.该化合物由于能够调节各种信号路径及其在应力缓解,...

英文名称Withanolide A
中文名称睡茄素A
其它别名5a-Ergosta-2,24-dien-26-oic acid, 6a,7a-epoxy-5,20,22-trihydroxy-1-oxo-, d-lactone, (22R)- (8CI); 6,7-Epoxy-1H-cyclopenta[a]phenanthrene, ergosta-2,24-dien-26-oic acid deriv.; 5,20a-Dihydroxy-6a,7a-epoxy-1-oxowitha-2,24-dienolide; 5a,20aF(R)-Dihydroxy-6a,7a-epoxy-1-oxowitha-2,24-dienolide; Withaniol; Withanolide A
CAS编号32911-62-9
MFCD编号:MFCD07779143
FDA UNII编号:V903234S8G
分子式:C28H38O6
分子量:470.6
产品CID: 1321656
产品分类分析化学 → 分析试剂 → 离子色谱试剂

相似结构搜索
InChIKey: DXWHOKCXBGLTMQ-SFQAJKIESA-N
1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23…
计算化学: 氢键受体数6.0氢键供体数2.0可旋转键数2.0

物理性质

熔点305 °C (分解)
沸点651.6±55.0 °C(预测)
闪点215.7±25.0 °C
密度1.264
pKa:13.05±0.70(预测)
PSA:96.36
LogP:3.4954
溶解性Methanol: Soluble1mg/mL, Clear, Colorless
外观形态白色粉末
储存条件-20°C

MSDS等安全信息

警示词warning
危险描述H303 may be harmful by ingestion +H313 may be harmful by skin contact +h2413 may be harmful by inhalation
防范说明P264 wash thoroughly after treatmentp280 wear protective gloves / wear protective clothing / wear protective eye masks / wear protective masksp305 if in eyesp351 rinse carefully with water for a few minutesp338 remove contact lenses (if any) and easy to operate, continue rinsingp337 if eye irritation persistsp2393 get medical advice / care
UN编号NONH for all modes of transport
安全声明H303 may be harmful by ingestion +h313 may be harmful by skin contact +h2413 may be harmful by inhalation
WGK Germany3

上下游产品

Withacoagin 119539-81-0

合成工艺路线路线简述

Withacoagin置于titanium(Iv) Isopropylate,叔丁基过氧化氢体系中,用氯仿,癸烷作为反应溶剂,以70 %的收率获得产物睡茄素a
参考文献: Processes For Synthesis Of Withanolides And Withaferins And Analogs Thereof[fr] Procédés De Synthèse De Withanolides Et De Withaférines Et D'Analogues De Ceux-Ci
标题: Processes For Synthesis Of Withanolides And Withaferins And Analogs Thereof[fr] Procédés De Synthèse De Withanolides Et De Withaférines Et D'Analogues De Ceux-Ci
摘要:The Present Disclosure Provides Processes For The Synthesis Of Withanolides Such As Withanolide A And Withanolide D.

海关参考信息

2901210000-乙烯
2901220000-丙烯
2905122000-异丙醇
2905143000-叔丁醇
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-2025171493-A1
优先权日:2022-03-05
标题 :Processes for synthesis of withanolides and withaferins and analogs thereof
发明人：LOPCHUK JUSTIN MATTHEW
权利人:H LEE MOFFITT CANCER CT & RES
摘要:The present disclosure provides processes for the synthesis of withanolides such as Withanolide A and Withanolide D.

专利号:WO-2023172499-A3
优先权日:2022-03-05
标题 :Processes for synthesis of withanolides and withaferins and analogs thereof

专利号:WO-2023172499-A2
优先权日:2022-03-05
标题 :Processes for synthesis of withanolides and withaferins and analogs thereof