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5,8-ETHANO-2-(PARA-METHOXYBENZYL)-1-(3,4,5-TRIMETHOXYBENZYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE
SpectraBase Compound ID BScRvNbZtUu
InChI InChI=1S/C29H37NO4/c1-31-23-11-5-19(6-12-23)18-30-14-13-24-21-7-9-22(10-8-21)28(24)25(30)15-20-16-26(32-2)29(34-4)27(17-20)33-3/h5-6,11-12,16-17,21-22,25H,7-10,13-15,18H2,1-4H3/t21-,22+,25?
InChIKey NDFKSFUOKQEDIV-OFFJZUQKSA-N
Mol Weight 463.6 g/mol
Molecular Formula C29H37NO4
Exact Mass 463.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6GEhco3lid8
Name 5,8-ETHANO-2-(PARA-METHOXYBENZYL)-1-(3,4,5-TRIMETHOXYBENZYL)-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H37NO4
InChI InChI=1S/C29H37NO4/c1-31-23-11-5-19(6-12-23)18-30-14-13-24-21-7-9-22(10-8-21)28(24)25(30)15-20-16-26(32-2)29(34-4)27(17-20)33-3/h5-6,11-12,16-17,21-22,25H,7-10,13-15,18H2,1-4H3/t21-,22+,25?
InChIKey NDFKSFUOKQEDIV-OFFJZUQKSA-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 463.617 g/mol
Solvent CDCl3
Source File Reference UWSI24366