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3,5-O-DICAFFEOYLQUINIC-ACID

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3,5-O-DICAFFEOYLQUINIC-ACID
SpectraBase Compound ID Dw1kFDsMlxG
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-JFZVQIRRSA-N
Mol Weight 516.46 g/mol
Molecular Formula C25H24O12
Exact Mass 516.126776 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Jn7SDjCIGw
Name 3,5-O-DI-CAFFEOYL-QUINIC-ACID
Compound Number 7
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-JFZVQIRRSA-N
Literature Reference Author M.ZNATI,H.B.JANNET,S.CAZAUX,J.P.SOUCHARD,F.H.SKHIRI,J.BOUAJI LA
Literature Reference Citation MOLECULES,19,16959(2014)
Literature Reference DOI 10.3390/molecules191016959
Molecular Weight 516.458 g/mol
Solvent CD3OD
Source File Reference UWLU81505