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(1-S)-1-BENZYL-(R)-N-(1-PHENYL-2-PHENYLACETYLETHOXY)-6,7-METHYLENEDIOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE;(1-R,R)-EPIMER
SpectraBase Compound ID z6BCODVfKS
InChI InChI=1S/C33H31NO4/c35-33(19-25-12-6-2-7-13-25)36-22-30(26-14-8-3-9-15-26)34-17-16-27-20-31-32(38-23-37-31)21-28(27)29(34)18-24-10-4-1-5-11-24/h1-15,20-21,29-30H,16-19,22-23H2/t29-,30+/m1/s1
InChIKey XMJDNGIPXAPUSD-IHLOFXLRSA-N
Mol Weight 505.6 g/mol
Molecular Formula C33H31NO4
Exact Mass 505.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F41HoXlKPcC
Name (1-S)-1-BENZYL-(R)-N-(1-PHENYL-2-PHENYLACETYLETHOXY)-6,7-METHYLENEDIOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE;(1-R,R)-EPIMER
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H31NO4
InChI InChI=1S/C33H31NO4/c35-33(19-25-12-6-2-7-13-25)36-22-30(26-14-8-3-9-15-26)34-17-16-27-20-31-32(38-23-37-31)21-28(27)29(34)18-24-10-4-1-5-11-24/h1-15,20-21,29-30H,16-19,22-23H2/t29-,30+/m1/s1
InChIKey XMJDNGIPXAPUSD-IHLOFXLRSA-N
Literature Reference Author N.CABEDO,I.ANDREU,M.C.R.D.ARELLANO,A.CHAGRAOUI,A.SERRANO,A.B ERMEJO,P.PROTAIS,D.C
Literature Reference Citation J.MED.CHEM.,44,1794(2001)
Literature Reference DOI 10.1021/jm001128u
Molecular Weight 505.613 g/mol
Sample ID 44532
Solvent CDCl3