![3,5-DICAFFEOYLQUINIC_ACID;(1-S,3-R,4-S,5-S)-1,3-BIS-({[(2-E)-3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENOYL]-](/api/spectrum/KlXeDmFEYbF/structure.png?h=300&w=458 "3,5-DICAFFEOYLQUINIC_ACID;(1-S,3-R,4-S,5-S)-1,3-BIS-({[(2-E)-3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENOYL]-")
| SpectraBase Compound ID | 3D3wwMULeP4 |
|---|---|
| InChI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1 |
| InChIKey | KRZBCHWVBQOTNZ-PSEXTPKNSA-N |
| Mol Weight | 516.46 g/mol |
| Molecular Formula | C25H24O12 |
| Exact Mass | 516.126776 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KlXeDmFEYbF |
|---|---|
| Name | 3,5-O-DICAFFEOYL-QUINIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H24O12 |
| InChI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1 |
| InChIKey | KRZBCHWVBQOTNZ-PSEXTPKNSA-N |
| Literature Reference Author | J.C.BATISTA,S.M.D.O.SANTIN,I.T.A.SCHUQUEL,L.L.M.D.ARRUDA,C.A .BERSANI-AMADO |
| Literature Reference Citation | QUIM.NOVA,37,638(2014) |
| Molecular Weight | 516.458 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR11934 |