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2-ISOFERULOYL-FUKIIC-ACID-1-METHYLESTER;CIMICIFUCIC-ACID-B-1-METHYLESTER
SpectraBase Compound ID XG0QPymzvA
InChI InChI=1S/C22H22O11/c1-31-17-7-4-12(9-16(17)25)5-8-18(26)33-19(20(27)32-2)22(30,21(28)29)11-13-3-6-14(23)15(24)10-13/h3-10,19,23-25,30H,11H2,1-2H3,(H,28,29)/b8-5+/t19-,22+/m1/s1
InChIKey RGDASGWAHZAACF-CXXCKQAGSA-N
Mol Weight 462.41 g/mol
Molecular Formula C22H22O11
Exact Mass 462.116212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID oUUOr92YLP
Name 2-ISOFERULOYL-FUKIIC-ACID-1-METHYLESTER;CIMICIFUCIC-ACID-B-1-METHYLESTER
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O11
InChI InChI=1S/C22H22O11/c1-31-17-7-4-12(9-16(17)25)5-8-18(26)33-19(20(27)32-2)22(30,21(28)29)11-13-3-6-14(23)15(24)10-13/h3-10,19,23-25,30H,11H2,1-2H3,(H,28,29)/b8-5+/t19-,22+/m1/s1
InChIKey RGDASGWAHZAACF-CXXCKQAGSA-N
Literature Reference Author M.TAKAHIRA,A.KUSANO,M.SHIBANO,G.KUSANO,T.MIYASE
Literature Reference Citation PHYTOCHEM.,49,2115(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00407-5
Molecular Weight 462.410 g/mol
Solvent CD3OD
Source File Reference UWLU864