Nombre del analito

3,4,5-Tricaffeoylquinic Acid

Número CAS

86632-03-3

Fórmula molecular

C34 H30 O15

Peso molecular

678.593

Masa exacta

678.158

SMILES

OC(=O)[C@@]1(O)C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](OC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](C1)OC(=O)\C=C\c4ccc(O)c(O)c4

InChI

InChI=1S/C34H30O15/c35-21-7-1-18(13-24(21)38)4-10-29(41)47-27-16-34(46,33(44)45)17-28(48-30(42)11-5-19-2-8-22(36)25(39)14-19)32(27)49-31(43)12-6-20-3-9-23(37)26(40)15-20/h1-15,27-28,32,35-40,46H,16-17H2,(H,44,45)/b10-4+,11-5+,12-6+/t27-,28-,32-,34+/m1/s1

IUPAC

(3R,5R)-3,4,5-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat