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METHYL-(E,3R,4R,5S)-N-BENZYLOXYCARBONYL-N-TERT.-BUTOXYCARBONYL-ALPHA-(3,4-DIBENZYLOXY-5-BENZYLOXYMETHYLPYRROLIDIN-2-YLIDENE)-GLYCINATE

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METHYL-(E,3R,4R,5S)-N-BENZYLOXYCARBONYL-N-TERT.-BUTOXYCARBONYL-ALPHA-(3,4-DIBENZYLOXY-5-BENZYLOXYMETHYLPYRROLIDIN-2-YLIDENE)-GLYCINATE
SpectraBase Compound ID FaMPF5mnMAd
InChI InChI=1S/C42H46N2O9/c1-42(2,3)53-41(47)44(40(46)52-28-33-23-15-8-16-24-33)36(39(45)48-4)35-38(51-27-32-21-13-7-14-22-32)37(50-26-31-19-11-6-12-20-31)34(43-35)29-49-25-30-17-9-5-10-18-30/h5-24,34,37-38,43H,25-29H2,1-4H3/b36-35-/t34-,37+,38+/m0/s1
InChIKey AGRBKFGFFWTHPX-NAJAILPDSA-N
Mol Weight 722.8 g/mol
Molecular Formula C42H46N2O9
Exact Mass 722.320331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DQ2bFVEwUMQ
Name METHYL-(E,3R,4R,5S)-N-BENZYLOXYCARBONYL-N-TERT.-BUTOXYCARBONYL-ALPHA-(3,4-DIBENZYLOXY-5-BENZYLOXYMETHYLPYRROLIDIN-2-YLIDENE)-GLYCINATE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H46N2O9
InChI InChI=1S/C42H46N2O9/c1-42(2,3)53-41(47)44(40(46)52-28-33-23-15-8-16-24-33)36(39(45)48-4)35-38(51-27-32-21-13-7-14-22-32)37(50-26-31-19-11-6-12-20-31)34(43-35)29-49-25-30-17-9-5-10-18-30/h5-24,34,37-38,43H,25-29H2,1-4H3/b36-35-/t34-,37+,38+/m0/s1
InChIKey AGRBKFGFFWTHPX-NAJAILPDSA-N
Literature Reference Author Y.KONDA-YAMADA,K.ASANO,T.SATOU,S.MONMA,M.SAKAYANAGI,N.SATOU, K.TAKEDA,Y.HARIGAYA
Literature Reference Citation CHEM.PHARM.BULL.,53,529(2005)
Literature Reference DOI 10.1248/cpb.53.529
Molecular Weight 722.835 g/mol
Sample ID 54082
Solvent CDCl3