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(E)-2-[3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENYLOXY]-3,4-DIHYDROXY-BUTANOIC-ACID;2-O-CAFFEOYL-THREONIC-ACID
SpectraBase Compound ID IwFN2AhLZZh
InChI InChI=1S/C13H14O8/c14-6-10(17)12(13(19)20)21-11(18)4-2-7-1-3-8(15)9(16)5-7/h1-5,10,12,14-17H,6H2,(H,19,20)/b4-2+/t10-,12+/m0/s1
InChIKey IZURIOLASMVTLV-YAQYBTLWSA-N
Mol Weight 298.25 g/mol
Molecular Formula C13H14O8
Exact Mass 298.068867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EXLbyCs0S8K
Name (E)-2-[3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENYLOXY]-3,4-DIHYDROXY-BUTANOIC-ACID;2-O-CAFFEOYL-THREONIC-ACID
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14O8
InChI InChI=1S/C13H14O8/c14-6-10(17)12(13(19)20)21-11(18)4-2-7-1-3-8(15)9(16)5-7/h1-5,10,12,14-17H,6H2,(H,19,20)/b4-2+/t10-,12+/m0/s1
InChIKey IZURIOLASMVTLV-YAQYBTLWSA-N
Literature Reference Author I.PARVEEN,A.WINTERS,M.D.THREADGILL,B.HAUCK,P.MORRIS
Literature Reference Citation PHYTOCHEM.,69,2799(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.08.019
Molecular Weight 298.249 g/mol
Sample ID 63843
Solvent CD3OD