3,5-Di-O-caffeoyl quinic acid

CAS: 2450-53-5

Ref. 11-4946S

Información del producto

• Nombre: 3,5-Di-O-caffeoyl quinic acid
• Sinónimos: Isochlorogenic acid A, (1α,3R,4α,5R)-3,5-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4-dihydroxycyclohexanecarboxylic acid, 3,5-Dicaffeoylquinic acid, 3,5-Dicaffeylquinic acid, Cinnamic acid, 3,4-dihydroxy-, 5-carboxy-2,5-dihydroxy-1,3-cyclohexylene ester, Cj 4-16-4, Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, 3,5-bis(3,4-dihydroxycinnamate), Cyclohexanecarboxylic acid, 3,5-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4-dihydroxy-, (1α,3R,4α,5R)-, Cyclohexanecarboxylic acid, 3,5-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4-dihydroxy-, (1α,3R,4α,5R)-, Cyclohexanecarboxylic acid, 3,5-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4-dihydroxy-, [1R-(1α,3α,4α,5β)]-, Quinic acid 3,5-di-O-caffeate
• CAS: 2450-53-5

Descripción

3,5-Di-O-caffeoyl quinic acid analytical standard provided with w/w absolute assay, to be used for quantitative titration.

• Marca: Extrasynthese

Propiedades químicas

• Peso molecular: 516.46
• Fórmula: C₂₅H₂₄O₁₂
• Pureza: (HPLC) ≥97%
• Color/Forma: Powder
• InChI: InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
• Clave InChI: InChIKey=KRZBCHWVBQOTNZ-PSEXTPKNSA-N
• SMILES: O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)[C@H]1O