For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
CASIMIROEDINE;MAJOR_ISOMER;SOLVENT-#1
SpectraBase Compound ID 1r8awxNizc7
InChI InChI=1S/C21H27N3O6/c1-23(17(26)8-7-14-5-3-2-4-6-14)10-9-15-11-24(13-22-15)21-20(29)19(28)18(27)16(12-25)30-21/h2-8,11,13,16,18-21,25,27-29H,9-10,12H2,1H3/b8-7+
InChIKey CSFQQZOIHVWGMN-BQYQJAHWSA-N
Mol Weight 417.46 g/mol
Molecular Formula C21H27N3O6
Exact Mass 417.189986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4KAIOCc53pi
Name CASIMIROEDINE;MINOR_ISOMER;SOLVENT-#2
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27N3O6
InChI InChI=1S/C21H27N3O6/c1-23(17(26)8-7-14-5-3-2-4-6-14)10-9-15-11-24(13-22-15)21-20(29)19(28)18(27)16(12-25)30-21/h2-8,11,13,16,18-21,25,27-29H,9-10,12H2,1H3/b8-7+
InChIKey CSFQQZOIHVWGMN-BQYQJAHWSA-N
Literature Reference Author W.F.REYNOLDS,R.G.ENRIQUEZ,G.A.MAGOS,D.GNECCO
Literature Reference Citation MAGN.RES.CHEM.,38,366(2000)
Literature Reference DOI 10.1002/1097-458x(200005)38:5<366::aid-mrc650>3.0.co;2-8
Molecular Weight 417.462 g/mol
Solvent CD3OD:DMSO-D6=80:20
Source File Reference UWBS1092