| Catalog |
DS327979 |
| CAS |
327-97-9 |
| Structure |  |
| Synonyms |
3-O-Caffeoylquinic Acid; Heriguard; 3-(3,4-Dihydroxycinnamoyl)Quinic Acid; 3-Caffeoylquinic Acid; Chlorogenate; Hlorogenic Acid |
| IUPAC Name |
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| Molecular Weight |
354.3 |
| Molecular Formula |
C16H18O9 |
| 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 |
| InChI Key |
CWVRJTMFETXNAD-JUHZACGLSA-N |
| Melting Point |
210 °C |
| Density |
1.359 g/cm3 |
| Solubility |
Soluble in water and ethanol |
| Appearance |
Yellow to white powder |
| Shelf Life |
24 months |
| Storage |
Store in a dry, airtight container under an inert atmosphere, away from light. |
| EC Number |
206-325-6 |
| Isomeric 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 |
| Packaging |
25 kg |
| Specification |
5-98% |
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