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2-METHYL-4-(METHYL-2-O-BENZYL-4,6-O-BENZYLIDENE-3-DEOXY-ALPHA-D-ALTROPYRANOSID-3-YLMETHYL)-6-PHENYLPYRIMIDINE
SpectraBase Compound ID 3fFDaPl13jf
InChI InChI=1S/C33H34N2O5/c1-22-34-26(19-28(35-22)24-14-8-4-9-15-24)18-27-30-29(21-38-32(40-30)25-16-10-5-11-17-25)39-33(36-2)31(27)37-20-23-12-6-3-7-13-23/h3-17,19,27,29-33H,18,20-21H2,1-2H3/t27-,29-,30+,31+,32-,33+/m0/s1
InChIKey QNPHWSHWDWBEQD-ZBKVAKTBSA-N
Mol Weight 538.6 g/mol
Molecular Formula C33H34N2O5
Exact Mass 538.246772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8RBBBMJtHq0
Name 2-METHYL-4-(METHYL-2-O-BENZYL-4,6-O-BENZYLIDENE-3-DEOXY-ALPHA-D-ALTROPYRANOSID-3-YLMETHYL)-6-PHENYLPYRIMIDINE
Compound Number 8D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H34N2O5
InChI InChI=1S/C33H34N2O5/c1-22-34-26(19-28(35-22)24-14-8-4-9-15-24)18-27-30-29(21-38-32(40-30)25-16-10-5-11-17-25)39-33(36-2)31(27)37-20-23-12-6-3-7-13-23/h3-17,19,27,29-33H,18,20-21H2,1-2H3/t27-,29-,30+,31+,32-,33+/m0/s1
InChIKey QNPHWSHWDWBEQD-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 538.643 g/mol
Sample ID 28917
Solvent CDCl3