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1-(2-HYDROXYETHYL)-3-(METHYL-2-O-BENZYL-4,6-O-BENZYLIDENE-3-DEOXY-ALPHA-D-ALTROPYRANOSID-3-YLMETHYL)-5-PHENYL-1-H-PYRAZOLE

View entire compound with spectra: 1 NMR

1-(2-HYDROXYETHYL)-3-(METHYL-2-O-BENZYL-4,6-O-BENZYLIDENE-3-DEOXY-ALPHA-D-ALTROPYRANOSID-3-YLMETHYL)-5-PHENYL-1-H-PYRAZOLE
SpectraBase Compound ID 1wrkwAwXRBY
InChI InChI=1S/C33H36N2O6/c1-37-33-31(38-21-23-11-5-2-6-12-23)27(30-29(40-33)22-39-32(41-30)25-15-9-4-10-16-25)19-26-20-28(35(34-26)17-18-36)24-13-7-3-8-14-24/h2-16,20,27,29-33,36H,17-19,21-22H2,1H3/t27-,29-,30+,31+,32-,33+/m0/s1
InChIKey RJUKNWKBMVZFMA-ZBKVAKTBSA-N
Mol Weight 556.7 g/mol
Molecular Formula C33H36N2O6
Exact Mass 556.257337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HAGaIdR75Cv
Name 1-(2-HYDROXYETHYL)-3-(METHYL-2-O-BENZYL-4,6-O-BENZYLIDENE-3-DEOXY-ALPHA-D-ALTROPYRANOSID-3-YLMETHYL)-5-PHENYL-1-H-PYRAZOLE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H36N2O6
InChI InChI=1S/C33H36N2O6/c1-37-33-31(38-21-23-11-5-2-6-12-23)27(30-29(40-33)22-39-32(41-30)25-15-9-4-10-16-25)19-26-20-28(35(34-26)17-18-36)24-13-7-3-8-14-24/h2-16,20,27,29-33,36H,17-19,21-22H2,1H3/t27-,29-,30+,31+,32-,33+/m0/s1
InChIKey RJUKNWKBMVZFMA-ZBKVAKTBSA-N
Literature Reference Author I.OTERO,H.FEIST,L.HERRERA,M.MICHALIK,J.QUINCOCES,K.PESEKE
Literature Reference Citation AUSTR.J.CHEM.,58,104(2005)
Literature Reference DOI 10.1071/CH04168
Molecular Weight 556.659 g/mol
Sample ID 28911
Solvent CDCl3