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METHYL-4-O-FERULOYL-5-O-CAFFEOYLQUINATE

View entire compound with spectra: 1 NMR

METHYL-4-O-FERULOYL-5-O-CAFFEOYLQUINATE
SpectraBase Compound ID 1vE40ASniVr
InChI InChI=1S/C27H28O12/c1-36-21-12-16(4-8-18(21)29)6-10-24(33)39-25-20(31)13-27(35,26(34)37-2)14-22(25)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h3-12,20,22,25,28-31,35H,13-14H2,1-2H3/b9-5+,10-6+/t20-,22-,25-,27+/m0/s1
InChIKey RTLCSWCXZWROFK-RKRPPMMTSA-N
Mol Weight 544.51 g/mol
Molecular Formula C27H28O12
Exact Mass 544.158076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 446Ju804lGS
Name METHYL-4-O-FERULOYL-5-O-CAFFEOYLQUINATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28O12
InChI InChI=1S/C27H28O12/c1-36-21-12-16(4-8-18(21)29)6-10-24(33)39-25-20(31)13-27(35,26(34)37-2)14-22(25)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h3-12,20,22,25,28-31,35H,13-14H2,1-2H3/b9-5+,10-6+/t20-,22-,25-,27+/m0/s1
InChIKey RTLCSWCXZWROFK-RKRPPMMTSA-N
Literature Reference Author Y.NOGATA,K.SEKIYA,H.OHTA,K.I.KUSUMOTO,T.ISHIZU
Literature Reference Citation PHYTOCHEM.,56,729(2001)
Literature Reference DOI 10.1016/S0031-9422(00)00462-3
Molecular Weight 544.512 g/mol
Solvent CD3OD
Source File Reference UWVN2013