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3-O-CAFFEOYLQUINICO-ACID
SpectraBase Compound ID 1CNJPd96bTv
InChI InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1
InChIKey CWVRJTMFETXNAD-NXLLHMKUSA-N
Mol Weight 354.31 g/mol
Molecular Formula C16H18O9
Exact Mass 354.095082 g/mol
Enantiomer InChIKey CWVRJTMFETXNAD-PNQZTZQXSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
  • 5-CQA;5-CAFFEOYLQUINIC-ACID
  • Chlorogenic acid
  • 5-O-CAFFEOYLQUINIC-ACID
Title Journal or Book Year
First Chemical Evaluation and Toxicity of Casinga-cheirosa to Balb-c Male Mice Molecules 2014
Complex mixture analysis of organic compounds in green coffee bean extract by two-dimensional NMR spectroscopy Magnetic Resonance in Chemistry 2010
A New Phloroglucinol Diglycoside Derivative from Hypericum japonicum Thunb. Molecules 2008

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