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ETHYL_3,5-O-DICAFFEOYLEPIQUINIC_ACID;(1-S,3-R,4-S,5-S)-1,3-BIS-({[(2-E)-3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENOYL]-
SpectraBase Compound ID 6FP9FGSfzzU
InChI InChI=1S/C27H28O12/c1-2-37-26(35)27(36)13-21(38-23(32)9-5-15-3-7-17(28)19(30)11-15)25(34)22(14-27)39-24(33)10-6-16-4-8-18(29)20(31)12-16/h3-12,21-22,25,28-31,34,36H,2,13-14H2,1H3/b9-5+,10-6+/t21-,22-,25-,27+/m1/s1
InChIKey RVRNQEQEOJQOCP-FYOODVSHSA-N
Mol Weight 544.51 g/mol
Molecular Formula C27H28O12
Exact Mass 544.158076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6eOgoXOArhP
Name ETHYL_3,5-O-DICAFFEOYLEPIQUINIC_ACID;(1-S,3-R,4-S,5-S)-1,3-BIS-({[(2-E)-3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENOYL]-
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28O12
InChI InChI=1S/C27H28O12/c1-2-37-26(35)27(36)13-21(38-23(32)9-5-15-3-7-17(28)19(30)11-15)25(34)22(14-27)39-24(33)10-6-16-4-8-18(29)20(31)12-16/h3-12,21-22,25,28-31,34,36H,2,13-14H2,1H3/b9-5+,10-6+/t21-,22-,25-,27+/m1/s1
InChIKey RVRNQEQEOJQOCP-FYOODVSHSA-N
Literature Reference Author A.KOENCZOEL,Z.BENI,M.M.SIPOS,A.RILL,V.HADA,J.HOHMANN,I.MATHE ,C.SZANTAY,G.M.KESER
Literature Reference Citation J.PHARM.BIOM.ANAL.,59,83(2012)
Literature Reference DOI 10.1016/j.jpba.2011.10.012
Molecular Weight 544.512 g/mol
Solvent DMSO-D6
Source File Reference UWMZ44030