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4,5-O-DICAFFEOYLQUINIC-ACID

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4,5-O-DICAFFEOYLQUINIC-ACID
SpectraBase Compound ID Hm9PXgD6a47
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-ZSGFIFMUSA-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 AHs96yWwuHv
Name 4,5-O-DICAFFEOYLQUINIC-ACID
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-ZSGFIFMUSA-N
Literature Reference Author F.ATOGNONI,N.C.PERELLINO,S.CRIPPA,R.D.TOSO,B.DANIELI,A.MINGH ETTI,F.POLI,G.PRESSI
Literature Reference Citation FITOTERAPIA,82,950(2011)
Literature Reference DOI 10.1016/j.fitote.2011.05.008
Molecular Weight 516.458 g/mol
Solvent CD3OD
Source File Reference UWDB1088