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MAGNOVATIN_B;REL-(7-S,8-R,8'-R)-3,4-METHYLENEDIOXY-3',4'-DIMETHOXY-LIGNAN-7-OL
SpectraBase Compound ID EgLscQZkki8
InChI InChI=1S/C21H26O5/c1-13(9-15-5-7-17(23-3)19(10-15)24-4)14(2)21(22)16-6-8-18-20(11-16)26-12-25-18/h5-8,10-11,13-14,21-22H,9,12H2,1-4H3/t13-,14-,21+/m1/s1
InChIKey NJZFDQRQCKAWQT-LKBUQDJMSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LnVsdbweOIH
Name MAGNOVATIN_B;REL-(7-S,8-R,8'-R)-3,4-METHYLENEDIOXY-3',4'-DIMETHOXY-LIGNAN-7-OL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-13(9-15-5-7-17(23-3)19(10-15)24-4)14(2)21(22)16-6-8-18-20(11-16)26-12-25-18/h5-8,10-11,13-14,21-22H,9,12H2,1-4H3/t13-,14-,21+/m1/s1
InChIKey NJZFDQRQCKAWQT-LKBUQDJMSA-N
Literature Reference Author L.F.L.BARROS,A.BARISON,M.J.SALVADOR,R.DEMELLO-SILVA,E.C.CABR AL,M.N.EBERLIN,M.E.A
Literature Reference Citation J.NAT.PROD.,72,1529(2009)
Literature Reference DOI 10.1021/np900203y
Molecular Weight 358.434 g/mol
Sample ID 33422
Solvent CDCl3