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4,5-O-DICAFFEOYLQUINIC-ACID

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4,5-O-DICAFFEOYLQUINIC-ACID
SpectraBase Compound ID Gw4hWFDzYQF
InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25-/m0/s1
InChIKey UFCLZKMFXSILNL-ZURXXRFOSA-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 KJMmaj0FM0D
Name 4,5-O-DICAFFEOYL-QUINIC-ACID
Compound Number 5
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(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25-/m0/s1
InChIKey UFCLZKMFXSILNL-ZURXXRFOSA-N
Literature Reference Author A.R.D.SANTOS,M.P.DEBARROS,S.M.D.O.SANTOIN,M.H.SARRAGIOTTO,M. C.DESOUZA,
Literature Reference Citation QUIM.NOVA,27,525(2004)
Literature Reference DOI 10.1590/s0100-40422004000400002
Molecular Weight 516.458 g/mol
Solvent CD3OD
Source File Reference UWBT12263