1,3-Dicaffeoylquinic Acid
Request a quote| Catalog Number | ACM19870463 |
| CAS | 19870-46-3 |
| Structure | ![{[CurrentData.Name]}](https://resource.alfa-chemistry.com/structure/19870-46-3.gif) |
| IUPAC Name | (1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid |
| Synonyms | (1S,3R,4R,5R)-1,3-Bis[3-(3,4-dihydroxyphenyl)acryloyloxy]-4,5-dihydroxycyclohexanecarboxylic acid |
| Molecular Weight | 516.45 |
| Molecular Formula | C25H24O12 |
| Canonical SMILES | C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O |
| Inchi | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1 |
| InChIKey | YDDUMTOHNYZQPO-PSEXTPKNSA-N |
| Boiling Point | 819.9±65.0 °C |
| Purity | 98% |
| Appearance | White solid |
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