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CIMICIFUGIC_ACID_G;(2-R,3-S)-2-O-(3',4'-DIMETHOXY-E-CINNAMOYL)-3-HYDROXY-3-[(3'',4''-DIHYDROXYPHENYL)-METHYL]-BUTENEDIOIC_ACID

View entire compound with spectra: 1 NMR

CIMICIFUGIC_ACID_G;(2-R,3-S)-2-O-(3',4'-DIMETHOXY-E-CINNAMOYL)-3-HYDROXY-3-[(3'',4''-DIHYDROXYPHENYL)-METHYL]-BUTENEDIOIC_ACID
SpectraBase Compound ID DxDpSjEbFgP
InChI InChI=1S/C22H22O11/c1-31-16-7-4-12(10-17(16)32-2)5-8-18(25)33-19(20(26)27)22(30,21(28)29)11-13-3-6-14(23)15(24)9-13/h3-10,19,23-24,30H,11H2,1-2H3,(H,26,27)(H,28,29)/b8-5+/t19-,22+/m1/s1
InChIKey YMPYAGUNPNITIL-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 Ai673oh0UiN
Name CIMICIFUGIC_ACID_G;(2-R,3-S)-2-O-(3',4'-DIMETHOXY-E-CINNAMOYL)-3-HYDROXY-3-[(3'',4''-DIHYDROXYPHENYL)-METHYL]-BUTENEDIOIC_ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O11
InChI InChI=1S/C22H22O11/c1-31-16-7-4-12(10-17(16)32-2)5-8-18(25)33-19(20(26)27)22(30,21(28)29)11-13-3-6-14(23)15(24)9-13/h3-10,19,23-24,30H,11H2,1-2H3,(H,26,27)(H,28,29)/b8-5+/t19-,22+/m1/s1
InChIKey YMPYAGUNPNITIL-CXXCKQAGSA-N
Literature Reference Author P.NUNTANAKORN,B.JIANG,L.S.EINBOND,H.YANG,F.KRONENBERG,I.B.WE INSTEIN,E.J.KENNELLY
Literature Reference Citation J.NAT.PROD.,69,314(2006)
Literature Reference DOI 10.1021/np0501031
Molecular Weight 462.410 g/mol
Solvent CD3OD
Source File Reference UWMZ18043