John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4E3KBDZ8f3I SpectraBase Spectrum ID=AlaJmQLB4Im

(accessed ).
TRANS-(8R,8'R,9S)-CUBEBIN
SpectraBase Compound ID 4E3KBDZ8f3I
InChI InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2/t14-,15+,20-/m0/s1
InChIKey DIYWRNLYKJKHAM-MDOVXXIYSA-N
Mol Weight 356.37 g/mol
Molecular Formula C20H20O6
Exact Mass 356.125989 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlaJmQLB4Im
Name (8-R,8'-R,9-S)-9-HYDROXY-3,4,3',4'-DIMETHYLENEDIOXY-8.8',9.O.9'-LIGNAN-DELTA:1,3,5,1',3',5'
Compound Number 3A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20O6
InChI InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2/t14-,15+,20-/m0/s1
InChIKey DIYWRNLYKJKHAM-MDOVXXIYSA-N
Literature Reference Author E.E.D.A.BLUMENTHAL,M.S.D.SILVA,M.YOSHIDA
Literature Reference Citation PHYTOCHEM.,46,745(1997)
Literature Reference DOI 10.1016/s0031-9422(97)00199-4
Molecular Weight 356.375 g/mol
Sample ID 40685
Solvent CDCl3
SpectraBase Batch ID B5GvzLA6YtW