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Trivalvone

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Trivalvone
SpectraBase Compound ID LJB8BxYFIJO
InChI InChI=1S/C36H28N2O4/c1-38-16-14-20-18-26(41-3)36(42-4)32-24-12-8-6-10-22(24)30(34(38)28(20)32)29-21-9-5-7-11-23(21)31-27-19(13-15-37-33(27)29)17-25(40-2)35(31)39/h5-13,15,17-18H,14,16H2,1-4H3
InChIKey WSLMUCJRIGJOSH-UHFFFAOYSA-N
Mol Weight 552.6 g/mol
Molecular Formula C36H28N2O4
Exact Mass 552.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ERhrB4xOiRk
Name TRIVALVONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H28N2O4
InChI InChI=1S/C36H28N2O4/c1-38-16-14-20-18-26(41-3)36(42-4)32-24-12-8-6-10-22(24)30(34(38)28(20)32)29-21-9-5-7-11-23(21)31-27-19(13-15-37-33(27)29)17-25(40-2)35(31)39/h5-13,15,17-18H,14,16H2,1-4H3
InChIKey WSLMUCJRIGJOSH-UHFFFAOYSA-N
Literature Reference Author D.CORTES,D.DAVOUST,A.H.A.HADI,S.H.MYINT,R.HOCQUEMILLER,A.CAV E
Literature Reference Citation J.NAT.PROD.,53,862(1990)
Literature Reference DOI 10.1021/np50070a013
Molecular Weight 552.629 g/mol
Solvent CDCl3
Source File Reference UWED16815