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CANNABISIN-E-TRIMETHYLETHER

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CANNABISIN-E-TRIMETHYLETHER
SpectraBase Compound ID 946cNazE9gD
InChI InChI=1S/C39H44N2O9/c1-45-30-13-6-26(7-14-30)20-22-40-36(42)19-11-28-10-17-33(34(24-28)48-4)50-38(37(43)29-12-18-32(47-3)35(25-29)49-5)39(44)41-23-21-27-8-15-31(46-2)16-9-27/h6-19,24-25,37-38,43H,20-23H2,1-5H3,(H,40,42)(H,41,44)/b19-11+
InChIKey SGAVIESZXKFPOC-YBFXNURJSA-N
Mol Weight 684.8 g/mol
Molecular Formula C39H44N2O9
Exact Mass 684.304681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5SFqwUTtJKS
Name CANNABISIN-E-TRIMETHYLETHER
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H44N2O9
InChI InChI=1S/C39H44N2O9/c1-45-30-13-6-26(7-14-30)20-22-40-36(42)19-11-28-10-17-33(34(24-28)48-4)50-38(37(43)29-12-18-32(47-3)35(25-29)49-5)39(44)41-23-21-27-8-15-31(46-2)16-9-27/h6-19,24-25,37-38,43H,20-23H2,1-5H3,(H,40,42)(H,41,44)/b19-11+
InChIKey SGAVIESZXKFPOC-YBFXNURJSA-N
Literature Reference Author I.SAKAKIBARA,Y.IKEYA,K.HAYASHI,M.OKADA,M.MARUNO
Literature Reference Citation PHYTOCHEM.,38,1003(1995)
Literature Reference DOI 10.1016/0031-9422(94)00773-M
Molecular Weight 684.786 g/mol
Solvent CDCl3:CH3OH=1:1
Source File Reference UWMS3849