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2-AMINO-1,3,4,5,6-PENTA-O-BENZYL-2-C-CYANO-2-DEOXY-MYO-INOSITOL

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2-AMINO-1,3,4,5,6-PENTA-O-BENZYL-2-C-CYANO-2-DEOXY-MYO-INOSITOL
SpectraBase Compound ID EQQMMoI0zDD
InChI InChI=1S/C42H42N2O5/c43-31-42(44)40(48-29-35-22-12-4-13-23-35)38(46-27-33-18-8-2-9-19-33)37(45-26-32-16-6-1-7-17-32)39(47-28-34-20-10-3-11-21-34)41(42)49-30-36-24-14-5-15-25-36/h1-25,37-41H,26-30,44H2/t37-,38-,39+,40+,41-,42+
InChIKey HGIMQVKUGLKKRF-KTKNPLNPSA-N
Mol Weight 654.8 g/mol
Molecular Formula C42H42N2O5
Exact Mass 654.309372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DjrDcVpht5
Name 2-AMINO-1,3,4,5,6-PENTA-O-BENZYL-2-C-CYANO-2-DEOXY-MYO-INOSITOL
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H42N2O5
InChI InChI=1S/C42H42N2O5/c43-31-42(44)40(48-29-35-22-12-4-13-23-35)38(46-27-33-18-8-2-9-19-33)37(45-26-32-16-6-1-7-17-32)39(47-28-34-20-10-3-11-21-34)41(42)49-30-36-24-14-5-15-25-36/h1-25,37-41H,26-30,44H2/t37-,38-,39+,40+,41-,42+
InChIKey HGIMQVKUGLKKRF-KTKNPLNPSA-N
Literature Reference Author A.SCAFFIDI,B.W.SKELTON,R.V.STICK,A.H.WHITE
Literature Reference Citation AUSTR.J.CHEM.,59,426(2006)
Literature Reference DOI 10.1071/CH06137
Molecular Weight 654.806 g/mol
Sample ID 37816
Solvent D2O