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8,8-BIS-(DIHYDROCONIFERYL)-DIFERULOYLATE

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8,8-BIS-(DIHYDROCONIFERYL)-DIFERULOYLATE
SpectraBase Compound ID 4xKQnZIOwqv
InChI InChI=1S/C40H42O12/c1-47-35-19-25(5-11-31(35)41)9-15-39(45)51-23-29(17-27-7-13-33(43)37(21-27)49-3)30(18-28-8-14-34(44)38(22-28)50-4)24-52-40(46)16-10-26-6-12-32(42)36(20-26)48-2/h5-16,19-22,29-30,41-44H,17-18,23-24H2,1-4H3/b15-9+,16-10+
InChIKey MOFDLYLEJWQRHD-KAVGSWPWSA-N
Mol Weight 714.8 g/mol
Molecular Formula C40H42O12
Exact Mass 714.267627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JS4En23Skel
Name 8,8-BIS-(DIHYDROCONIFERYL)-DIFERULOYLATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H42O12
InChI InChI=1S/C40H42O12/c1-47-35-19-25(5-11-31(35)41)9-15-39(45)51-23-29(17-27-7-13-33(43)37(21-27)49-3)30(18-28-8-14-34(44)38(22-28)50-4)24-52-40(46)16-10-26-6-12-32(42)36(20-26)48-2/h5-16,19-22,29-30,41-44H,17-18,23-24H2,1-4H3/b15-9+,16-10+
InChIKey MOFDLYLEJWQRHD-KAVGSWPWSA-N
Literature Reference Author A.BUSKE,J.SCHMIDT,A.PORZEL,G.ADAM
Literature Reference Citation PHYTOCHEM.,46,1385(1997)
Literature Reference DOI 10.1016/s0031-9422(97)00488-3
Molecular Weight 714.766 g/mol
Sample ID 45675
Solvent CDCl3