产品名称

英文名称：Isochlorogenic acid B

同义词

3,4-Dicaffeoylquinic acid、Isochlorogenic acid b、14534-61-3、4,5-Dicqa、4,5-Dicaffeoylquinic acid、(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid、3,4-Di-O-Caffeoylquinic acid、45777W94HK、CHEBI599、3,4-二咖啡酰奎宁酸

产品性质

CAS编号：14534-61-3

分子式：C25H24O12

分子量：516.46

EC号：874-682-0

PubChem编号：5281780

别名：3,4-二咖啡酰奎宁酸

英文别名：3,4-Dicaffeoylquinic acid|Isochlorogenic acid b|14534-61-3|4,5-Dicqa|4,5-Dicaffeoylquinic acid|(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid|3,4-Di-O-Caffeoylquinic acid|45777W94HK|CHEBI599

规格或纯度：分析标准品,≥98%

英文名称：Isochlorogenic acid B

储存温度：2-8°C储存

运输条件：冰袋运输

IUPAC Name：(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid

INCHI：InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1

InChi Key：UFCLZKMFXSILNL-PSEXTPKNSA-N

Canonical SMILES：C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O

Isomeric SMILES：C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O

关联CAS：14534-61-3,32451-88-0,89886-31-7

PubChem CID：5281780

MeSH Entry Terms：3,4-di-O-caffeoylquinic acid;3,4-dicaffeoylquinic acid;3,4-DICQA;isochlorogenic acid B;methyl 3,5-di-O-caffeoyl quinate;methyl-3,5-di-O-caffeoylquinate

密度：1.64

象形图：

信号词：Warning

危险声明：H302 Harmful if swallowed

预防措施声明：P501,P264,P270,P330,P301+P317

产品包装