3,5-Di-O-Caffeoylquinic Acid Methyl Ester
Request a quote| Catalog Number | ACM159934131 |
| CAS | 159934-13-1 |
| IUPAC Name | methyl (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylate |
| Molecular Weight | 530.5 |
| Molecular Formula | C26H26O12 |
| Canonical SMILES | COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O |
| Inchi | InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24?,26?/m1/s1 |
| InChIKey | VEBNYMXKXIIGFX-IYVYCCGLSA-N |
| Purity | 98% |
| Appearance | Powder |
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