1,3-Dicaffeoylquinic Acid

Nombre del analito

1,3-Dicaffeoylquinic acid

Número CAS

19870-46-3

Fórmula molecular

C25 H24 O12

Peso molecular

516.45

Masa exacta

516.1268

SMILES

O[C@@H]1C[C@@](C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)(OC(=O)\C=C\c3ccc(O)c(O)c3)C(=O)O

InChI

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

IUPAC

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

Temperatura de almacenamiento

-20°C

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat

Familia API

Caffeoylquinic acid

Purity

>95% (HPLC)