Nombre del analito

3-O-Caffeoylquinic Acid Methyl Ester

Número CAS

123483-19-2

Fórmula molecular

C17 H20 O9

Peso molecular

368.335

Masa exacta

368.111

SMILES

COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@@H](C1)OC(=O)\C=C\c2ccc(O)c(O)c2

InChI

InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1

IUPAC

methyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate

Temperatura de envío

Room Temperature

País de origen

CANADA

Tipo de producto

Bioactive Small Molecule

Formato del producto

Neat