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8-C-BETA-(2''-O-BETA-GLUCOPYRANOSYL)-GLUCOPYRANOSYL-7-O-METHYL-APIGENINIDIN;MAJOR-ISOMER
SpectraBase Compound ID ESGIEcVqrPQ
InChI InChI=1S/C28H32O14/c1-38-16-8-14(32)13-6-7-15(11-2-4-12(31)5-3-11)39-25(13)19(16)26-27(23(36)21(34)17(9-29)40-26)42-28-24(37)22(35)20(33)18(10-30)41-28/h2-8,17-18,20-24,26-30,33-37H,9-10H2,1H3,(H-,31,32)/p+1/t17-,18-,20-,21-,22+,23+,24-,26+,27-,28+/m1/s1
InChIKey QPOKYJKAYWFHPX-OMQLKUSUSA-O
Mol Weight 593.6 g/mol
Molecular Formula C28H33O14
Exact Mass 593.187031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AG3JurjBUf6
Name 8-C-BETA-(2''-O-BETA-GLUCOPYRANOSYL)-GLUCOPYRANOSYL-7-O-METHYL-APIGENINIDIN;MINOR-ISOMER
Compound Number 3(8)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H33O14
InChI InChI=1S/C28H32O14/c1-38-16-8-14(32)13-6-7-15(11-2-4-12(31)5-3-11)39-25(13)19(16)26-27(23(36)21(34)17(9-29)40-26)42-28-24(37)22(35)20(33)18(10-30)41-28/h2-8,17-18,20-24,26-30,33-37H,9-10H2,1H3,(H-,31,32)/p+1/t17-,18-,20-,21-,22+,23+,24-,26+,27-,28+/m1/s1
InChIKey QPOKYJKAYWFHPX-OMQLKUSUSA-O
Literature Reference Author O.BROROY,S.RAYYAN,T.FOSSEN,O.M.ANDERSEN
Literature Reference Citation J.AGR.FOOD.CHEM.,57,6668(2009)
Literature Reference DOI 10.1021/jf900759q
Molecular Weight 593.562 g/mol
Sample ID 68065
Solvent CF3COOD:CD3OD=5:95