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3,3',7-tri-(o-Methyl)-quercitin - 4',5-diacetate
SpectraBase Compound ID 4BAxwv41MFG
InChI InChI=1S/C23H22O10/c1-11(24)31-15-9-14(27-3)10-16-19(15)20(26)23(30-6)21(33-16)13-7-17(28-4)22(32-12(2)25)18(8-13)29-5/h7-10H,1-6H3
InChIKey CVQZHCFPEJOSMB-UHFFFAOYSA-N
Mol Weight 458.42 g/mol
Molecular Formula C23H22O10
Exact Mass 458.121297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2klfvamVS5N
Name 3,3',7-tri-(o-Methyl)-quercitin - 4',5-diacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.121296898 u
Formula C23H22O10
InChI InChI=1S/C23H22O10/c1-11(24)31-15-9-14(27-3)10-16-19(15)20(26)23(30-6)21(33-16)13-7-17(28-4)22(32-12(2)25)18(8-13)29-5/h7-10H,1-6H3
InChIKey CVQZHCFPEJOSMB-UHFFFAOYSA-N
Molecular Weight 458.419 g/mol
SMILES C1(=C(C(=O)C=2C(O1)=CC(=CC2OC(=O)C)OC)OC)C1=CC(OC)=C(C(=C1)OC)OC(=O)C