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REL-(8R,8'S,9S)-3,4-DIMETHOXY-3',4'-METHYLENEDIOXY-9-BETA-ETHOXY-LIGNAN-8.8'.9.O.9'
SpectraBase Compound ID k46XgqMZei
InChI InChI=1S/C23H28O6/c1-4-26-23-18(10-16-5-7-19(24-2)21(11-16)25-3)17(13-27-23)9-15-6-8-20-22(12-15)29-14-28-20/h5-8,11-12,17-18,23H,4,9-10,13-14H2,1-3H3/t17-,18-,23+/m1/s1
InChIKey YEVFJIMMZUNUSY-PNCHPQGNSA-N
Mol Weight 400.47 g/mol
Molecular Formula C23H28O6
Exact Mass 400.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KwMZ57eMvUH
Name REL-(8R,8'S,9S)-3,4-DIMETHOXY-3',4'-METHYLENEDIOXY-9-BETA-ETHOXY-LIGNAN-8.8'.9.O.9'
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H28O6
InChI InChI=1S/C23H28O6/c1-4-26-23-18(10-16-5-7-19(24-2)21(11-16)25-3)17(13-27-23)9-15-6-8-20-22(12-15)29-14-28-20/h5-8,11-12,17-18,23H,4,9-10,13-14H2,1-3H3/t17-,18-,23+/m1/s1
InChIKey YEVFJIMMZUNUSY-PNCHPQGNSA-N
Literature Reference Author A.P.F.D.SILVA,S.F.P.JUNIOR,L.M.CONSERVA,G.M.S.P.GUILHON
Literature Reference Citation J.BRAZ.CHEM.SOC.,10,122(1999)
Molecular Weight 400.472 g/mol
Solvent CDCl3
Source File Reference UWMS5549