Methyl 4-Caffeoylquinate
Request a quote| Catalog Number | ACM123372747 |
| Product Name | Methyl 4-Caffeoylquinate |
| CAS Number | 123372-74-7 |
| IUPAC Name | methyl (3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylate |
| Molecular Weight | 368.3 |
| Molecular Formula | C17H20O9 |
| Canonical SMILES | COC(=O)C1(CC(C(C(C1)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
| Inchi | InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15?,17?/m1/s1 |
| InChIKey | SMFKCIHIAHWGGL-JUEQGWKHSA-N |
| Purity | 98% |
| Appearance | Powder |
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