Products 906-33-2
CAS 906-33-2 appears in our catalog under these names: Neochlorogenic Acid, (E)-Neochlorogenic Acid, >95% (HPLC), Neochlorogenic acid, Neochlorogenic acid/ 99.73% (existing batch purity), Neochlorogenic Acid, >98.0%(HPLC). Offered by: Chemat Brand, TRC, GLPBio, TargetMol, TCI. Available pack sizes: on request, 100mg, 10mg, 50mg, 20mg, 25mg, 1mg, 5mg.
Trans-5-O-caffeoyl-D-quinic acid is a cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 5-hydroxy group of quinic acid. It has a role as a plant metabolite. It is a cinnamate ester and a cyclitol carboxylic acid. It is functionally related to a trans-caffeic acid and a (-)-quinic acid. It is a conjugate acid of a trans-5-O-caffeoyl-D-quinate.
Source: ChEBI
| Molecular formula | C16H18O9 |
|---|---|
| Molecular weight | 354.31 g/mol |
| IUPAC name | (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| InChIKey | CWVRJTMFETXNAD-NXLLHMKUSA-N |
| SMILES | C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O |
Computed by PubChem (NCBI)