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4',5-Dimethoxy-3'-prenyl-biochanin

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4',5-Dimethoxy-3'-prenyl-biochanin
SpectraBase Compound ID BP2qeeZKzlW
InChI InChI=1S/C22H22O6/c1-12(2)5-6-13-7-14(8-17(24)22(13)27-4)16-11-28-19-10-15(23)9-18(26-3)20(19)21(16)25/h5,7-11,23-24H,6H2,1-4H3
InChIKey UWXYUEZCGLSJLG-UHFFFAOYSA-N
Mol Weight 382.41 g/mol
Molecular Formula C22H22O6
Exact Mass 382.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Yt2xkYiYnI
Name 4',5-Dimethoxy-3'-prenyl-biochanin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.141638422 u
Formula C22H22O6
InChI InChI=1S/C22H22O6/c1-12(2)5-6-13-7-14(8-17(24)22(13)27-4)16-11-28-19-10-15(23)9-18(26-3)20(19)21(16)25/h5,7-11,23-24H,6H2,1-4H3
InChIKey UWXYUEZCGLSJLG-UHFFFAOYSA-N
Molecular Weight 382.412 g/mol
SMILES C=1(C(C=2C(=CC(=CC2OC1)O)OC)=O)C=1C=C(CC=C(C)C)C(=C(C1)O)OC