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4-(METHYL-2-O-BENZYL-4,6-O-BENZYLIDENE-3-DEOXY-ALPHA-D-ALTROPYRANOSID-3-YLMETHYL)-2-METHYLTHIOPYRIMIDINE
SpectraBase Compound ID CEDmB9HYhvh
InChI InChI=1S/C27H30N2O5S/c1-30-26-24(31-16-18-9-5-3-6-10-18)21(15-20-13-14-28-27(29-20)35-2)23-22(33-26)17-32-25(34-23)19-11-7-4-8-12-19/h3-14,21-26H,15-17H2,1-2H3/t21-,22-,23+,24+,25-,26+/m1/s1
InChIKey RXSPGJNBQLPPFS-RMLCQDLPSA-N
Mol Weight 494.61 g/mol
Molecular Formula C27H30N2O5S
Exact Mass 494.187543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 83DQdGrQy2e
Name 4-(METHYL-2-O-BENZYL-4,6-O-BENZYLIDENE-3-DEOXY-ALPHA-D-ALTROPYRANOSID-3-YLMETHYL)-2-METHYLTHIOPYRIMIDINE
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30N2O5S
InChI InChI=1S/C27H30N2O5S/c1-30-26-24(31-16-18-9-5-3-6-10-18)21(15-20-13-14-28-27(29-20)35-2)23-22(33-26)17-32-25(34-23)19-11-7-4-8-12-19/h3-14,21-26H,15-17H2,1-2H3/t21-,22-,23+,24+,25-,26+/m1/s1
InChIKey RXSPGJNBQLPPFS-RMLCQDLPSA-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 494.606 g/mol
Sample ID 28916
Solvent CDCl3