CAS: 97534-10-6; (4As,6As,6Br,8Ar,10S,12Ar,12Br,14Bs)-10-(((E)-3-(3,4-Dihydroxyphenyl)Acryloyl)Oxy)-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Octadecahydropicene-4A(2H)-Carboxylic Acid

英文名称(4As,6As,6Br,8Ar,10S,12Ar,12Br,14Bs)-10-(((E)-3-(3,4-Dihydroxyphenyl)Acryloyl)Oxy)-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Octadecahydropicene-4A(2H)-Carboxylic Acid
中文名称3-O-咖啡酰基齐墩果酸
IUPAC名称(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
其它别名3-O-Caffeoyloleanolic Acid; Oleanolic Acid 3-O-Caffeate; Oleanolic Acid Caffeate; (4As,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-10-[(E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoyl]Oxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid; Olean-12-En-28-Oic Acid, 3-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-Oxo-2-Propen-1-Yl]Oxy]-, (3β)-
CAS编号97534-10-6
分子式:C39H54O6分子量:618.85
产品CID: 2021904
产品分类天然产物 → 萜类

相似结构搜索
产品信息参考;;;;
InChIKey: OJEUMHQEAMVIBI-SBXAJAQGSA-N
InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)25(26(39)23-34)10-12-30-36(5)16-15-31(35(3,4)29(36)14-17-38(30,37)7)45-32(42)13-9-24-8-11-27(40)28(41)22-24/h8-11,1
计算化学: 氢键受体数6.0氢键供体数3.0可旋转键数5.0

MSDS等安全信息

警示词warning
危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation may be harmful to the body
防范说明P264+P280+P305+P351+P338+P337+P313
危险品标志Xi
安全声明H303+H313+H333

合成工艺路线路线简述

1038588-91-8 = 97534-10-6
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Methanol,Water; 30 Min,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified
标题:Antimycobacterial Activity Of Cinnamate-Based Esters Of The Triterpenes Betulinic,Oleanolic And Ursolic Acids
作者:Tanachatchairatana,Tanud; Bremner,John Barnard; Chokchaisiri,Ratchanaporn; Suksamrarn,Apichart
参考文献:Chemical & Pharmaceutical Bulletin 日期:2008 卷标:56(2) 页码:194-198]

2252176-15-9 = 97534-10-6
反应条件:1.1 Reagents: (+/-)-Camphorsulfonic Acid Solvents: Methanol; 4 H,Rt1.2 Reagents: Water
标题:Pentacyclic Triterpenoids And Derivatives And Their Preparation,Pharmaceutical Compositions And Use In The Treatment Of Neurodegenerative Diseases
参考文献:China]

2252176-15-9 = 97534-10-6
反应条件:1.1 Reagents: Camphorsulfonic Acid Solvents: Methanol; 4 H,Rt1.2 Solvents: Water; Rt
标题:Semi-Synthesis And Structure-Activity Relationship Of Neuritogenic Oleanene Derivatives
作者:Bian,Linglin; Cao,Shining; Cheng,Lihong; Nakazaki,Atsuo; Nishikawa,Toshio; Et Al
参考文献:Chemmedchem 日期:2018 卷标:13(18) 页码:1972-1977]

1359762-81-4 = 97534-10-6
反应条件:1.1 Reagents: Lithium Hydroxide Solvents: Dimethylformamide,Water; Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; 2 H,Acidified,Rt
标题:3-O-Caffeoyl-Oleate Type Pentacyclic Triterpenoid Ester Derivative,Preparation Method And Medical Application
参考文献:China]

= 97534-10-6 [标题:Reaction Conditions
标题:Caffeic Acid Esters As Radical Scavengers,Antiinflammatory Agents And Preneoplasm Inhibitors In Cosmetic,Pharmaceutical And Nutritional Compositions
参考文献:Germany