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5,8-ETHANO-1,2-DI-(PARA-METHOXYBENZYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE
SpectraBase Compound ID KKfOUjWODyU
InChI InChI=1S/2C27H33NO2/c2*1-29-23-11-3-19(4-12-23)17-26-27-22-9-7-21(8-10-22)25(27)15-16-28(26)18-20-5-13-24(30-2)14-6-20/h2*3-6,11-14,21-22,26H,7-10,15-18H2,1-2H3/t2*21-,22+,26?
InChIKey LJFVQNDKMOEHFA-CCEQZWEASA-N
Mol Weight 807.1 g/mol
Molecular Formula C54H66N2O4
Exact Mass 806.502259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 659Mvx9JPRQ
Name 5,8-ETHANO-1,2-DI-(PARA-METHOXYBENZYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE
Compound Number 3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H66N2O4
InChI InChI=1S/2C27H33NO2/c2*1-29-23-11-3-19(4-12-23)17-26-27-22-9-7-21(8-10-22)25(27)15-16-28(26)18-20-5-13-24(30-2)14-6-20/h2*3-6,11-14,21-22,26H,7-10,15-18H2,1-2H3/t2*21-,22+,26?
InChIKey LJFVQNDKMOEHFA-CCEQZWEASA-N
Literature Reference Author S.L.SAHA,V.F.ROCHE,K.PENDOLA,M.KEARLEY,L.LEI,K.J.ROMSTEDT,M. HERDMAN,G.SHAMS,V.KA
Literature Reference Citation BIOORG.MED.CHEM.,10,2779(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00101-3
Molecular Weight 807.129 g/mol
Solvent CDCl3
Source File Reference UWSI24363