Chlorogenic acid
SPECIFICATION
| Catalog ID: | C-135 |
|---|---|
| CAS #: | 327-97-9 |
| MW: | 354.32 g/mol |
| Grade: | MOLECULAR BIOLOGY GRADE |
| Storage/handling: | Store at room temperature. |
| PubChem Chemical ID: | 1794427 |
| IUPAC Name: | (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| InChI: | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
| InChIKey: | CWVRJTMFETXNAD-JUHZACGLSA-N |
| SMILES: | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |