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3,3''-(pentamethylenedioxy)bis[4',7-dimethoxyflavone]

View entire compound with spectra: 2 NMR, and 1 FTIR

3,3''-(pentamethylenedioxy)bis[4',7-dimethoxyflavone]
SpectraBase Compound ID DZXbyToCRag
InChI InChI=1S/C39H36O10/c1-42-26-12-8-24(9-13-26)36-38(34(40)30-18-16-28(44-3)22-32(30)48-36)46-20-6-5-7-21-47-39-35(41)31-19-17-29(45-4)23-33(31)49-37(39)25-10-14-27(43-2)15-11-25/h8-19,22-23H,5-7,20-21H2,1-4H3
InChIKey RDDGBGFFHOATOP-UHFFFAOYSA-N
Mol Weight 664.7 g/mol
Molecular Formula C39H36O10
Exact Mass 664.230847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dg340AX4OlY
Name 3,3''-(pentamethylenedioxy)bis[4',7-dimethoxyflavone]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 664.230847349 u
Formula C39H36O10
InChI InChI=1S/C39H36O10/c1-42-26-12-8-24(9-13-26)36-38(34(40)30-18-16-28(44-3)22-32(30)48-36)46-20-6-5-7-21-47-39-35(41)31-19-17-29(45-4)23-33(31)49-37(39)25-10-14-27(43-2)15-11-25/h8-19,22-23H,5-7,20-21H2,1-4H3
InChIKey RDDGBGFFHOATOP-UHFFFAOYSA-N
Molecular Weight 664.707 g/mol
SMILES C=12C=CC(=CC1OC(=C(C2=O)OCCCCCOC1=C(OC=2C=C(C=CC2C1=O)OC)C=1C=CC(=CC1)OC)C=1C=CC(=CC1)OC)OC