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1,3-DI-O-TRANS-FERULOYLQUINIC-ACID;DFQA;1,3-DIHYDROXYCINNAMOYLQUINIC-ACID-ESTER
SpectraBase Compound ID 5XEddykbMOP
InChI InChI=1S/C27H28O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(31)38-22-14-27(26(34)35,13-19(30)25(22)33)39-24(32)10-6-16-4-8-18(29)21(12-16)37-2/h3-12,19,22,25,28-30,33H,13-14H2,1-2H3,(H,34,35)/b9-5+,10-6+/t19-,22-,25+,27-/m1/s1
InChIKey YSOVEZGZSWEECD-HPMQQOSDSA-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 9qTNWdpQrMb
Name 1,3-DI-O-TRANS-FERULOYLQUINIC-ACID;DFQA;1,3-DIHYDROXYCINNAMOYLQUINIC-ACID-ESTER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28O12
InChI InChI=1S/C27H28O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(31)38-22-14-27(26(34)35,13-19(30)25(22)33)39-24(32)10-6-16-4-8-18(29)21(12-16)37-2/h3-12,19,22,25,28-30,33H,13-14H2,1-2H3,(H,34,35)/b9-5+,10-6+/t19-,22-,25+,27-/m1/s1
InChIKey YSOVEZGZSWEECD-HPMQQOSDSA-N
Literature Reference Author P.WENZL,A.L.CHAVES,J.E.MAYER,I.M.RAO,M.G.NAIR
Literature Reference Citation PHYTOCHEM.,55,389(2000)
Literature Reference DOI 10.1016/S0031-9422(00)00350-2
Molecular Weight 544.512 g/mol
Solvent DMSO-D6
Source File Reference UWLU2494