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(3R)-2',7-DIHYDROXY-3'-(3-METHYLBUT-2-ENYL)-2''',2'''-DIMETHYLPYRANO-[5''',6''':4',5']-ISOFLAVAN
SpectraBase Compound ID IztHidx4xzO
InChI InChI=1S/C25H28O4/c1-15(2)5-8-20-23(27)21(12-17-9-10-25(3,4)29-24(17)20)18-11-16-6-7-19(26)13-22(16)28-14-18/h5-7,9-10,12-13,18,26-27H,8,11,14H2,1-4H3/t18-/m0/s1
InChIKey XVJIRAKXLPECHH-SFHVURJKSA-N
Mol Weight 392.5 g/mol
Molecular Formula C25H28O4
Exact Mass 392.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B5TIrAmrpwT
Name (3R)-2',7-DIHYDROXY-3'-(3-METHYLBUT-2-ENYL)-2''',2'''-DIMETHYLPYRANO-[5''',6''':4',5']-ISOFLAVAN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28O4
InChI InChI=1S/C25H28O4/c1-15(2)5-8-20-23(27)21(12-17-9-10-25(3,4)29-24(17)20)18-11-16-6-7-19(26)13-22(16)28-14-18/h5-7,9-10,12-13,18,26-27H,8,11,14H2,1-4H3/t18-/m0/s1
InChIKey XVJIRAKXLPECHH-SFHVURJKSA-N
Literature Reference Author J.JANG,M.NA,P.T.THUONG,D.NJAMEN,J.T.MBAFOR,Z.T.FOMUM,E.R.WOO ,W.K.OH
Literature Reference Citation CHEM.PHARM.BULL.,56,85(2008)
Literature Reference DOI 10.1248/cpb.56.85
Molecular Weight 392.495 g/mol
Sample ID 1214
Solvent CDCl3