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3-(METHYL-2-O-BENZYL-4,6-O-BENZYLIDENE-3-DEOXY-ALPHA-D-ALTROPYRANOSID-3-YLMETHYL)-5-PHENYL-1-H-PYRAZOLE
SpectraBase Compound ID AoxPGl9hf8M
InChI InChI=1S/C31H32N2O5/c1-34-31-29(35-19-21-11-5-2-6-12-21)25(17-24-18-26(33-32-24)22-13-7-3-8-14-22)28-27(37-31)20-36-30(38-28)23-15-9-4-10-16-23/h2-16,18,25,27-31H,17,19-20H2,1H3,(H,32,33)/t25-,27-,28+,29+,30-,31+/m0/s1
InChIKey DAQYOWXIPUTHFF-RNCWQNJZSA-N
Mol Weight 512.6 g/mol
Molecular Formula C31H32N2O5
Exact Mass 512.231122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7bH4VEPkFtc
Name 3-(METHYL-2-O-BENZYL-4,6-O-BENZYLIDENE-3-DEOXY-ALPHA-D-ALTROPYRANOSID-3-YLMETHYL)-5-PHENYL-1-H-PYRAZOLE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H32N2O5
InChI InChI=1S/C31H32N2O5/c1-34-31-29(35-19-21-11-5-2-6-12-21)25(17-24-18-26(33-32-24)22-13-7-3-8-14-22)28-27(37-31)20-36-30(38-28)23-15-9-4-10-16-23/h2-16,18,25,27-31H,17,19-20H2,1H3,(H,32,33)/t25-,27-,28+,29+,30-,31+/m0/s1
InChIKey DAQYOWXIPUTHFF-RNCWQNJZSA-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 512.605 g/mol
Sample ID 28909
Solvent CDCl3