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没食子儿茶素没食子酸酯 | 4233-96-9

没食子儿茶素没食子酸酯
(-)-Gallocatechin gallate
4233-96-9
C22H18O11
458.3717
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:没食子儿茶素没食子酸酯结构式
24895275
简介
(-)-Gallocatechin gallate 是茶中的多酚类物质,具有抗癌作用。
名称和标识符
MDL MFCD00214298
InChIKey WMBWREPUVVBILR-NQIIRXRSSA-N
Inchi 1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1
SMILES O1C2=C([H])C(=C([H])C(=C2C([H])([H])[C@]([H])([C@]1([H])C1C([H])=C(C(=C(C=1[H])O[H])O[H])O[H])OC(C1C([H])=C(C(=C(C=1[H])O[H])O[H])O[H])=O)O[H])O[H]
别名信息
- 中文别名 -
  • 没食子儿茶素没食子酸酯
  • (-)-没食子儿茶素没食子酸酯
  • 没食子酸儿茶素没食子酸酯
  • (-)-儿茶素没食子酸
  • N-硬脂酰植物鞘胺醇
  • 没食子儿茶素 没食子酸盐, (-)-(P)
  • 没食子儿茶素没食子酸
  • 没食子儿茶素没食子酸脂
  • 没食子儿茶素没食子酸酯 GCG
  • 没食子儿茶素没食子酸酯 标准品
  • 没食子儿茶素没食子酸酯(GCG)
  • 没食子儿茶素没食子酸酯(标准品)
  • 没食子儿茶素没食子酸酯标准品,绿茶中得到
  • 没食子酸儿茶素没食子酸酯,分析标准品
  • (-)-没食子酸棓儿茶酸
  • (±)-环氧丙醇
  • GCG,-GCG,植物提取物,标准品,对照品
  • 分析对照品
- 英文别名 -
  • (-)-Gallocatechin gallate
  • GCG
  • (2S,3R)-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-(3,4,5-trihydroxybenzoate)
  • (-)-Gallocatechol gallate
  • (−)-Gallocatechin gallate
  • Benzoic acid,3,4,5-trihydroxy-,(2S,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-ylester
  • Gallocatechin gallate (GCG)
  • (-)-Gallocatechin 3-O-gallate
  • (?)-Gallocatechin gallate
  • (±)-Glycidol
  • [(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
  • Gallocatechin gallate
  • (-)-gallocatechin-3-O-gallate
  • IRW3C4Y31Q
  • (2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate
  • Benzoic ac
  • Benzoic acid, 3,4,5-tri
  • BRD-K19216856-001-01-9
  • (2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
  • (2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
  • Q-100471
  • Q-100471
  • Q-100471
  • 1ST40201
  • 1ST40201
  • 1ST40201
  • Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2S-trans)-
  • Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2S-trans)-
  • Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2S-trans)-
  • (-)-Gallocatechin gallate, analytical standard
  • (-)-Gallocatechin gallate, analytical standard
  • (-)-Gallocatechin gallate, analytical standard
  • SCHEMBL49461
  • SCHEMBL49461
  • SCHEMBL49461
  • CCG-269313
  • CCG-269313
  • CCG-269313
  • Gallocatechol, 3-gallate, (-)-
  • Gallocatechol, 3-gallate, (-)-
  • CHEBI:156271
  • Gallocatechol, 3-gallate, (-)-
  • CHEBI:156271
  • CHEMBL264938
  • CHEBI:156271
  • CHEMBL264938
  • Gallocatechingallate(-GCG)
  • CHEMBL264938
  • Gallocatechingallate(-GCG)
  • ent-Gallocatechin 3-gallate
  • Gallocatechingallate(-GCG)
  • ent-Gallocatechin 3-gallate
  • CS-7698
  • ent-Gallocatechin 3-gallate
  • CS-7698
  • (-)-Gallocatechin 3-gallate
  • CS-7698
  • (-)-Gallocatechin 3-gallate
  • 4233-96-9
  • (-)-Gallocatechin 3-gallate
  • 4233-96-9
  • Q27166763
  • 4233-96-9
  • Q27166763
  • CCRIS 9286
  • Q27166763
  • DTXSID20195144
  • CCRIS 9286
  • CCRIS 9286
  • DTXSID20195144
  • CHEBI:95002
  • DTXSID20195144
  • CHEBI:95002
  • MFCD00214298
  • CHEBI:95002
  • MFCD00214298
  • MFCD00214298
  • Gallocatechin gallate, (-)-
  • Gallocatechin gallate, (-)-
  • A11681
  • Gallocatechin gallate, (-)-
  • A11681
  • BS-50638
  • A11681
  • BS-50638
  • BS-50638
  • BENZOIC ACID, 3,4,5-TRIHYDROXY-, (2S,3R)-3,4-DIHYDRO-5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-2H-1-BENZOPYRAN-3-YL ESTER
  • BENZOIC ACID, 3,4,5-TRIHYDROXY-, (2S,3R)-3,4-DIHYDRO-5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-2H-1-BENZOPYRAN-3-YL ESTER
  • BENZOIC ACID, 3,4,5-TRIHYDROXY-, (2S,3R)-3,4-DIHYDRO-5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-2H-1-BENZOPYRAN-3-YL ESTER
  • UNII-IRW3C4Y31Q
  • UNII-IRW3C4Y31Q
  • UNII-IRW3C4Y31Q
  • NCGC00390250-01
  • NCGC00390250-01
  • NCGC00390250-01
  • NVP-XAA 225
  • NVP-XAA 225
  • NVP-XAA 225
  • (-)-Gallocatechin gallate, from green tea, >=98% (HPLC)
  • (-)-Gallocatechin gallate, from green tea, >=98% (HPLC)
  • (-)-Gallocatechin gallate, from green tea, >=98% (HPLC)
  • (2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
  • (2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
  • (2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
  • s9058
  • s9058
  • s9058
  • (2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl3,4,5-trihydroxybenzoate
  • (2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl3,4,5-trihydroxybenzoate
  • (2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl3,4,5-trihydroxybenzoate
  • AKOS015901852
  • AKOS015901852
  • AKOS015901852
  • HY-N0522
  • HY-N0522
  • HY-N0522
  • Gallocatechin gallate (Gcg)
  • Gallocatechin gallate (Gcg)
  • Gallocatechin gallate (Gcg)
  • AC-6044
  • AC-6044
  • AC-6044
  • L-GCG
  • L-GCG
  • L-GCG
  • BDBM50236531
  • BDBM50236531
  • BDBM50236531
物化性质
实验特性
LogP 2.23320
PSA 197.37000
折射率 1.857
沸点 920.9 °C at 760 mmHg
闪点 325.2 °C
颜色与性状 White powder
溶解性 不确定
敏感性 对光和湿度敏感
密度 1.6850
计算特性
精确分子量 458.08500
氢键供体数量 8
氢键受体数量 11
可旋转化学键数量 4
同位素质量 458.08491139 g/mol
重原子数量 33
复杂度 667
同位素原子数量 0
确定原子立构中心数量 2
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 1.2
互变异构体数量 1000
表面电荷 0
拓扑分子极性表面积 197
分子量 458.4
生产方法和用途
用途 抗氧化剂。
生产方法 绿茶提取物。
相关文献
专业数据库参考
PubChemId 24895275
参考资料
Reaxys RN
化合物详情(旧版)

物理化学性质

产品用途

应用领域







化学品安全说明书(MSDS)



储运特性





扩展阅读
没食子儿茶素没食子酸酯 http://www.biopurify.cn/Phytochemicals/Gallocatechin%20gallate.html
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