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1-(METHYL-2-O-BENZYL-4,6-O-BENZYLIDENE-3-DEOXY-ALPHA-D-ALTROPYRANOSID-3-YL)-4-PHENYL-BUT-3-YN-2-ONE
SpectraBase Compound ID uCDsHW9rXF
InChI InChI=1S/C31H30O6/c1-33-31-29(34-20-23-13-7-3-8-14-23)26(19-25(32)18-17-22-11-5-2-6-12-22)28-27(36-31)21-35-30(37-28)24-15-9-4-10-16-24/h2-16,26-31H,19-21H2,1H3/t26-,27-,28+,29+,30-,31+/m0/s1
InChIKey LAVXRQWPUFXYBB-XEGIUAKZSA-N
Mol Weight 498.58 g/mol
Molecular Formula C31H30O6
Exact Mass 498.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1MkywtUmQXR
Name 1-(METHYL-2-O-BENZYL-4,6-O-BENZYLIDENE-3-DEOXY-ALPHA-D-ALTROPYRANOSID-3-YL)-4-PHENYL-BUT-3-YN-2-ONE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H30O6
InChI InChI=1S/C31H30O6/c1-33-31-29(34-20-23-13-7-3-8-14-23)26(19-25(32)18-17-22-11-5-2-6-12-22)28-27(36-31)21-35-30(37-28)24-15-9-4-10-16-24/h2-16,26-31H,19-21H2,1H3/t26-,27-,28+,29+,30-,31+/m0/s1
InChIKey LAVXRQWPUFXYBB-XEGIUAKZSA-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 498.576 g/mol
Sample ID 28907
Solvent CDCl3