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(E)-2-[3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENYLOXY]-3-(METHOXYCARBONYL)-PENTANEDIOIC-ACID;2-O-CAFFEOYL-ISOCITRIC-ACID-6-METHYLESTER

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(E)-2-[3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENYLOXY]-3-(METHOXYCARBONYL)-PENTANEDIOIC-ACID;2-O-CAFFEOYL-ISOCITRIC-ACID-6-METHYLESTER
SpectraBase Compound ID 2FyTg6vK5PG
InChI InChI=1S/C16H16O10/c1-25-16(24)9(7-12(19)20)14(15(22)23)26-13(21)5-3-8-2-4-10(17)11(18)6-8/h2-6,9,14,17-18H,7H2,1H3,(H,19,20)(H,22,23)/b5-3+
InChIKey SQXHDRVCMRBLSB-HWKANZROSA-N
Mol Weight 368.29 g/mol
Molecular Formula C16H16O10
Exact Mass 368.074347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HlFfeCcQIBm
Name (E)-2-[3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENYLOXY]-3-(METHOXYCARBONYL)-PENTANEDIOIC-ACID;2-O-CAFFEOYL-ISOCITRIC-ACID-6-METHYLESTER
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16O10
InChI InChI=1S/C16H16O10/c1-25-16(24)9(7-12(19)20)14(15(22)23)26-13(21)5-3-8-2-4-10(17)11(18)6-8/h2-6,9,14,17-18H,7H2,1H3,(H,19,20)(H,22,23)/b5-3+
InChIKey SQXHDRVCMRBLSB-HWKANZROSA-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 368.297 g/mol
Sample ID 63842
Solvent CD3OD