cas: 905-99-7 — see every product listed under this CAS number, including other names
4-O-CAFFEOYLQUINIC ACID (CAS 905-99-7) is a chemical reagent available from Chemat. Available pack sizes: 10MG, 50MG. Offered by: Sigma-Aldrich.
| brand | Sigma-Aldrich |
|---|---|
| catalog number | 65969-10MG |
| cas | 905-99-7 |
| size | 10MG |
| availability | availability |
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| brand | size | price | |
|---|---|---|---|
| Sigma-Aldrich | 10MG | 2022.00 Pln | |
| Sigma-Aldrich | 50MG | 7214.00 Pln |
| purity | No data |
|---|---|
| delivery time | 1-2 weeks (only if in stock, to check click on availability) |
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)