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

*Links on SpectraBase are not permalinks.

5-[[(3S,3aS,6aR,9aR,9bS)-2-keto-6,9-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[5,4-d]furan-3-yl]methyl]-6-amino-1,3-dimethyl-pyrimidine-2,4-quinone

View entire compound with spectra: 1 NMR

5-[[(3S,3aS,6aR,9aR,9bS)-2-keto-6,9-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[5,4-d]furan-3-yl]methyl]-6-amino-1,3-dimethyl-pyrimidine-2,4-quinone
SpectraBase Compound ID BSMhw5Zhh7H
InChI InChI=1S/C21H27N3O4/c1-10-5-8-13-14(9-15-18(22)23(3)21(27)24(4)19(15)25)20(26)28-17(13)16-11(2)6-7-12(10)16/h12-14,16-17H,1-2,5-9,22H2,3-4H3/t12-,13-,14-,16-,17-/m0/s1
InChIKey AMCZTNQYEULFGZ-JBJRXJHCSA-N
Mol Weight 385.46 g/mol
Molecular Formula C21H27N3O4
Exact Mass 385.200156 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 KtDThk0sg4E
Name 5-[[(3S,3aS,6aR,9aR,9bS)-2-keto-6,9-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[5,4-d]furan-3-yl]methyl]-6-amino-1,3-dimethyl-pyrimidine-2,4-quinone
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27N3O4
InChI InChI=1S/C21H27N3O4/c1-10-5-8-13-14(9-15-18(22)23(3)21(27)24(4)19(15)25)20(26)28-17(13)16-11(2)6-7-12(10)16/h12-14,16-17H,1-2,5-9,22H2,3-4H3/t12-,13-,14-,16-,17-/m0/s1
InChIKey AMCZTNQYEULFGZ-JBJRXJHCSA-N
Literature Reference Author E.DIAZ,H.BARRIOS,J.L.NAVA,R.G.ENRIQUEZ,A.GUZMAN,L.G.LEON,J.F .FUENTES,A.B.FUENTES
Literature Reference Citation J.HETCYCL.CHEM.,34,1037(1997)
Literature Reference DOI 10.1002/jhet.5570340351
Molecular Weight 385.463 g/mol
Solvent CDCl3
Source File Reference UWSW878