CAS 905-99-7 appears in our catalog under these names: Cryptochlorogenic Acid, 4-O-Caffeoylquinic Acid, >95% (HPLC), Cryptochlorogenic acid, Cryptochlorogenic acid/ 99.67% (existing batch purity), 4-O-Caffeoylquinic acid, 98.00%. Offered by: Chemat Brand, TRC, GLPBio, TargetMol, Chemat. Available pack sizes: on request, 100mg, 10mg, 20mg, 25mg, 50mg, 1mg, 5mg.
4-O-trans-caffeoylquinic acid is a cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 4-hydroxy group of (+)-quinic acid. It has a role as a metabolite and a hepatoprotective agent. It is a cinnamate ester and a cyclitol carboxylic acid. It is functionally related to a trans-caffeic acid and a (+)-quinic acid.
Source: ChEBI
| Molecular formula | C16H18O9 |
|---|---|
| Molecular weight | 354.31 g/mol |
| IUPAC name | trans-(3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid |
| InChIKey | GYFFKZTYYAFCTR-AVXJPILUSA-N |
| SMILES | C1[C@H](C([C@@H](CC1(C(=O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O |
Computed by PubChem (NCBI)