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7-O-BETA-D-GLUCURONOPYRANOSYL-4'-O-[2'-O-E-FERULOYL-O-BETA-D-GLUCURONOPYRANOSYL-(1->2)-O-BETA-D-GLUCURONOPYRANOSIDE]-APIGENIN
SpectraBase Compound ID 7OYs45FsN4n
InChI InChI=1S/C43H42O26/c1-61-22-10-14(2-8-18(22)44)3-9-24(47)65-36-30(52)28(50)35(40(59)60)68-43(36)69-37-31(53)29(51)34(39(57)58)67-42(37)62-16-6-4-15(5-7-16)21-13-20(46)25-19(45)11-17(12-23(25)64-21)63-41-32(54)26(48)27(49)33(66-41)38(55)56/h2-13,26-37,41-45,48-54H,1H3,(H,55,56)(H,57,58)(H,59,60)/b9-3+/t26-,27-,28+,29+,30+,31+,32+,33-,34+,35+,36-,37-,41+,42-,43+/m0/s1
InChIKey JLNNCTXIJCCWSU-YWZMWINCSA-N
Mol Weight 974.8 g/mol
Molecular Formula C43H42O26
Exact Mass 974.196431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 76QwErFGszz
Name 7-O-BETA-D-GLUCURONOPYRANOSYL-4'-O-[2'-O-E-FERULOYL-O-BETA-D-GLUCURONOPYRANOSYL-(1->2)-O-BETA-D-GLUCURONOPYRANOSIDE]-APIGENIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H42O26
InChI InChI=1S/C43H42O26/c1-61-22-10-14(2-8-18(22)44)3-9-24(47)65-36-30(52)28(50)35(40(59)60)68-43(36)69-37-31(53)29(51)34(39(57)58)67-42(37)62-16-6-4-15(5-7-16)21-13-20(46)25-19(45)11-17(12-23(25)64-21)63-41-32(54)26(48)27(49)33(66-41)38(55)56/h2-13,26-37,41-45,48-54H,1H3,(H,55,56)(H,57,58)(H,59,60)/b9-3+/t26-,27-,28+,29+,30+,31+,32+,33-,34+,35+,36-,37-,41+,42-,43+/m0/s1
InChIKey JLNNCTXIJCCWSU-YWZMWINCSA-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 974.791 g/mol
Solvent CD3OD
Source File Reference UWVN2422