Nombre del analito

4-O-Caffeoylshikimic Acid

Número CAS

180842-65-3

Fórmula molecular

C16 H16 O8

Peso molecular

336.293

Masa exacta

336.085

SMILES

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

InChI

InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(21)24-15-12(19)6-9(16(22)23)7-13(15)20/h1-6,12-13,15,17-20H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1

IUPAC

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

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat