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7-O-BETA-D-GLUCURONOPYRANOSYL-4'-O-[2'-PARA-E-COUMAROYL-O-BETA-D-GLUCURONOPYRANOSYL-(1->2)-O-BETA-D-GLUCURONOPYRANOSIDE]-APIGENIN

View entire compound with spectra: 1 NMR

7-O-BETA-D-GLUCURONOPYRANOSYL-4'-O-[2'-PARA-E-COUMAROYL-O-BETA-D-GLUCURONOPYRANOSYL-(1->2)-O-BETA-D-GLUCURONOPYRANOSIDE]-APIGENIN
SpectraBase Compound ID Kjzh79WWliu
InChI InChI=1S/C42H40O25/c43-16-6-1-14(2-7-16)3-10-23(46)63-35-29(51)27(49)34(39(58)59)66-42(35)67-36-30(52)28(50)33(38(56)57)65-41(36)60-17-8-4-15(5-9-17)21-13-20(45)24-19(44)11-18(12-22(24)62-21)61-40-31(53)25(47)26(48)32(64-40)37(54)55/h1-13,25-36,40-44,47-53H,(H,54,55)(H,56,57)(H,58,59)/b10-3+
InChIKey KZBJNNPIVYBZOA-XCVCLJGOSA-N
Mol Weight 944.8 g/mol
Molecular Formula C42H40O25
Exact Mass 944.185867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jqkuqi5JjZR
Name 7-O-BETA-D-GLUCURONOPYRANOSYL-4'-O-[2'-PARA-E-COUMAROYL-O-BETA-D-GLUCURONOPYRANOSYL-(1->2)-O-BETA-D-GLUCURONOPYRANOSIDE]-APIGENIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H40O25
InChI InChI=1S/C42H40O25/c43-16-6-1-14(2-7-16)3-10-23(46)63-35-29(51)27(49)34(39(58)59)66-42(35)67-36-30(52)28(50)33(38(56)57)65-41(36)60-17-8-4-15(5-9-17)21-13-20(45)24-19(44)11-18(12-22(24)62-21)61-40-31(53)25(47)26(48)32(64-40)37(54)55/h1-13,25-36,40-44,47-53H,(H,54,55)(H,56,57)(H,58,59)/b10-3+
InChIKey KZBJNNPIVYBZOA-XCVCLJGOSA-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 944.765 g/mol
Solvent CD3OD
Source File Reference UWVN2423