3,4,5-Tricaffeoylquinic Acid
Request a quote| Catalog Number | ACM86632033 |
| Product Name | 3,4,5-Tricaffeoylquinic Acid |
| CAS Number | 86632-03-3 |
| IUPAC Name | (3R,5R)-3,4,5-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid |
| Synonyms | (3R,5R)-3,4,5-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid |
| Molecular Weight | 678.59 |
| Molecular Formula | C34H30O15 |
| Canonical SMILES | C1C(C[C@H](C([C@@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)(O)C(=O)O |
| Inchi | InChI=1S/C34H30O15/c35-21-7-1-18(13-24(21)38)4-10-29(41)47-27-16-34(46,33(44)45)17-28(48-30(42)11-5-19-2-8-22(36)25(39)14-19)32(27)49-31(43)12-6-20-3-9-23(37)26(40)15-20/h1-15,27-28,32,35-40,46H,16-17H2,(H,44,45)/b10-4+,11-5+,12-6+/t27-,28-,32?,34?/m1/s1 |
| InChIKey | OAFXTKGAKYAFSI-JFPZSYFPSA-N |
| Boiling Point | 916.0±65.0 °C |
| Flash Point | 290.9ºC |
| Purity | 98% |
| Density | 1.64 g/ml |
| Appearance | Solid |
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