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5,2'-Dihydroxy-7,8,6'-trimethoxyflavone 2'-o-.beta.,D-glucuronopyranoside
SpectraBase Compound ID BeKibS5MyZU
InChI InChI=1S/C24H24O13/c1-32-11-5-4-6-12(36-24-19(29)17(27)18(28)22(37-24)23(30)31)16(11)13-7-9(25)15-10(26)8-14(33-2)20(34-3)21(15)35-13/h4-8,17-19,22,24,26-29H,1-3H3,(H,30,31)/t17-,18-,19+,22-,24-/m0/s1
InChIKey PQLPFYVPSLASRG-AYMJDXAVSA-N
Mol Weight 520.44 g/mol
Molecular Formula C24H24O13
Exact Mass 520.121691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7JbnwqN1uJU
Name 5,2'-Dihydroxy-7,8,6'-trimethoxyflavone 2'-o-.beta.,D-glucuronopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 520.121690820 u
Formula C24H24O13
InChI InChI=1S/C24H24O13/c1-32-11-5-4-6-12(36-24-19(29)17(27)18(28)22(37-24)23(30)31)16(11)13-7-9(25)15-10(26)8-14(33-2)20(34-3)21(15)35-13/h4-8,17-19,22,24,26-29H,1-3H3,(H,30,31)/t17-,18-,19+,22-,24-/m0/s1
InChIKey PQLPFYVPSLASRG-AYMJDXAVSA-N
Molecular Weight 520.443 g/mol
SMILES C=1(OC2=C(C(OC)=CC(=C2C(C1)=O)O)OC)C=1C(O[C@]2(O[C@](C(=O)O)([C@]([C@@]([C@]2(O)[H])(O)[H])(O)[H])[H])[H])=CC=CC1OC