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4'-O-[2'-O-E-FERULOYL-O-BETA-D-GLUCURONOPYRANOSYL-(1->2)-O-BETA-D-GLUCURONOPYRANOSIDE]-APIGENIN
SpectraBase Compound ID CkjNdOvCLDK
InChI InChI=1S/C37H34O20/c1-51-22-10-14(2-8-18(22)39)3-9-24(42)54-32-28(45)26(43)31(35(49)50)56-37(32)57-33-29(46)27(44)30(34(47)48)55-36(33)52-17-6-4-15(5-7-17)21-13-20(41)25-19(40)11-16(38)12-23(25)53-21/h2-13,26-33,36-40,43-46H,1H3,(H,47,48)(H,49,50)/b9-3+/t26-,27-,28-,29-,30-,31-,32+,33+,36+,37-/m1/s1
InChIKey LNCLTICCQWMCNS-ZPPGLCOLSA-N
Mol Weight 798.7 g/mol
Molecular Formula C37H34O20
Exact Mass 798.164343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HLKd0uyjFly
Name 4'-O-[2'-O-E-FERULOYL-O-BETA-D-GLUCURONOPYRANOSYL-(1->2)-O-BETA-D-GLUCURONOPYRANOSIDE]-APIGENIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H34O20
InChI InChI=1S/C37H34O20/c1-51-22-10-14(2-8-18(22)39)3-9-24(42)54-32-28(45)26(43)31(35(49)50)56-37(32)57-33-29(46)27(44)30(34(47)48)55-36(33)52-17-6-4-15(5-7-17)21-13-20(41)25-19(40)11-16(38)12-23(25)53-21/h2-13,26-33,36-40,43-46H,1H3,(H,47,48)(H,49,50)/b9-3+/t26-,27-,28-,29-,30-,31-,32+,33+,36+,37-/m1/s1
InChIKey LNCLTICCQWMCNS-ZPPGLCOLSA-N
Literature Reference Author A.STOCHMAL,A.M.SIMONET,F.A.MACIAS,M.A.OLIVEIRA,J.M.ABREU,R.N ASH,W.OLESZEK
Literature Reference Citation PHYTOCHEM.,57,1223(2001)
Literature Reference DOI 10.1016/S0031-9422(01)00204-7
Molecular Weight 798.665 g/mol
Solvent CD3OD
Source File Reference UWVN2421