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3,3'-(Tetramethylenedioxy)bis[4'-methoxyflavone]

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

3,3'-(Tetramethylenedioxy)bis[4'-methoxyflavone]
SpectraBase Compound ID 9AEtJIGynPb
InChI InChI=1S/C36H30O8/c1-39-25-17-13-23(14-18-25)33-35(31(37)27-9-3-5-11-29(27)43-33)41-21-7-8-22-42-36-32(38)28-10-4-6-12-30(28)44-34(36)24-15-19-26(40-2)20-16-24/h3-6,9-20H,7-8,21-22H2,1-2H3
InChIKey LDICTJYYCBQTEA-UHFFFAOYSA-N
Mol Weight 590.6 g/mol
Molecular Formula C36H30O8
Exact Mass 590.194068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27lt2uKSO0V
Name 3,3'-(Tetramethylenedioxy)bis[4'-methoxyflavone]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 590.194067918 u
Formula C36H30O8
InChI InChI=1S/C36H30O8/c1-39-25-17-13-23(14-18-25)33-35(31(37)27-9-3-5-11-29(27)43-33)41-21-7-8-22-42-36-32(38)28-10-4-6-12-30(28)44-34(36)24-15-19-26(40-2)20-16-24/h3-6,9-20H,7-8,21-22H2,1-2H3
InChIKey LDICTJYYCBQTEA-UHFFFAOYSA-N
Molecular Weight 590.628 g/mol
SMILES C=12C=CC=CC1OC(=C(C2=O)OCCCCOC1=C(OC=2C=CC=CC2C1=O)C=1C=CC(=CC1)OC)C=1C=CC(=CC1)OC