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#8C;(Z)-[(S)-4-[1-[[(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3-(PROP-2-YNYL)-3,4-DIHYDRO-PYRIMIDIN-1(2H)-YL]-TETRAHYDROFURAN-2-YL]-METHYL]-1H-1,2,3-TRIAZOL-4

View entire compound with spectra: 1 NMR

#8C;(Z)-[(S)-4-[1-[[(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3-(PROP-2-YNYL)-3,4-DIHYDRO-PYRIMIDIN-1(2H)-YL]-TETRAHYDROFURAN-2-YL]-METHYL]-1H-1,2,3-TRIAZOL-4
SpectraBase Compound ID 4KkYRyONZX9
InChI InChI=1S/C36H54N6O9/c1-5-8-10-12-14-16-33(45)49-25-28(50-34(46)17-15-13-11-9-6-2)19-31(44)37-21-27-23-40(39-38-27)24-30-29(43)20-32(51-30)42-22-26(4)35(47)41(18-7-3)36(42)48/h3,22-23,28-30,32,43H,5-6,8-21,24-25H2,1-2,4H3,(H,37,44)/t28-,29-,30+,32+/m0/s1
InChIKey KUBIYNBBMFOEKO-YFZRJWSLSA-N
Mol Weight 714.9 g/mol
Molecular Formula C36H54N6O9
Exact Mass 714.395227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FcPQw0so1bt
Name #8C;(Z)-[(S)-4-[1-[[(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3-(PROP-2-YNYL)-3,4-DIHYDRO-PYRIMIDIN-1(2H)-YL]-TETRAHYDROFURAN-2-YL]-METHYL]-1H-1,2,3-TRIAZOL-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H54N6O9
InChI InChI=1S/C36H54N6O9/c1-5-8-10-12-14-16-33(45)49-25-28(50-34(46)17-15-13-11-9-6-2)19-31(44)37-21-27-23-40(39-38-27)24-30-29(43)20-32(51-30)42-22-26(4)35(47)41(18-7-3)36(42)48/h3,22-23,28-30,32,43H,5-6,8-21,24-25H2,1-2,4H3,(H,37,44)/t28-,29-,30+,32+/m0/s1
InChIKey KUBIYNBBMFOEKO-YFZRJWSLSA-N
Literature Reference Author L.LATXAGUE,A.PATWA,E.AMIGUES,P.BARTHELEMY
Literature Reference Citation MOLECULES,18,12241(2013)
Literature Reference DOI 10.3390/molecules181012241
Molecular Weight 714.860 g/mol
Solvent DMSO-D6
Source File Reference UWIR9590