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CAFFEOYL-ESTER-OF-APIONIC-ACID;3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENOYL-ESTER-OF-2,3,4-TRIHYDROXY-3-HYDROXYMETHYLBUTYRIC-ACID

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CAFFEOYL-ESTER-OF-APIONIC-ACID;3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENOYL-ESTER-OF-2,3,4-TRIHYDROXY-3-HYDROXYMETHYLBUTYRIC-ACID
SpectraBase Compound ID 7jvijryVluu
InChI InChI=1S/C14H16O9/c15-6-14(22,12(19)13(20)21)7-23-11(18)4-2-8-1-3-9(16)10(17)5-8/h1-5,12,15-17,19,22H,6-7H2,(H,20,21)/b4-2+
InChIKey BMVREUNZOSAHNV-DUXPYHPUSA-N
Mol Weight 328.27 g/mol
Molecular Formula C14H16O9
Exact Mass 328.079432 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 20XugfjNmEM
Name CAFFEOYL-ESTER-OF-APIONIC-ACID;3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENOYL-ESTER-OF-2,3,4-TRIHYDROXY-3-HYDROXYMETHYLBUTYRIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16O9
InChI InChI=1S/C14H16O9/c15-6-14(22,12(19)13(20)21)7-23-11(18)4-2-8-1-3-9(16)10(17)5-8/h1-5,12,15-17,19,22H,6-7H2,(H,20,21)/b4-2+
InChIKey BMVREUNZOSAHNV-DUXPYHPUSA-N
Literature Reference Author A.BRACA,N.DETOMMASI,L.DIBARI,C.PIZZA,M.POLITI,I.MORELLI
Literature Reference Citation J.NAT.PROD.,64,892(2001)
Literature Reference DOI 10.1021/np0100845
Molecular Weight 328.276 g/mol
Solvent CD3OD