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#7C;(S)-4-[1-[[(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-PYRIMIDIN-1(2H)-YL]-TETRAHYDROFURAN-2-YL]-METHYL]-1H-1,2,3-TRIAZOL-4-YL-AMINO]-4-OXO-BUTA

View entire compound with spectra: 1 NMR

#7C;(S)-4-[1-[[(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-PYRIMIDIN-1(2H)-YL]-TETRAHYDROFURAN-2-YL]-METHYL]-1H-1,2,3-TRIAZOL-4-YL-AMINO]-4-OXO-BUTA
SpectraBase Compound ID CwEFjRLPkFJ
InChI InChI=1S/C33H52N6O9/c1-4-6-8-10-12-14-30(42)46-22-25(47-31(43)15-13-11-9-7-5-2)16-28(41)34-18-24-20-38(37-36-24)21-27-26(40)17-29(48-27)39-19-23(3)32(44)35-33(39)45/h19-20,25-27,29,40H,4-18,21-22H2,1-3H3,(H,34,41)(H,35,44,45)/t25-,26-,27+,29+/m0/s1
InChIKey ZDJDNPUAZRWPTK-YJIPECKFSA-N
Mol Weight 676.8 g/mol
Molecular Formula C33H52N6O9
Exact Mass 676.379577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADSeY6CbyoQ
Name #7C;(S)-4-[1-[[(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-PYRIMIDIN-1(2H)-YL]-TETRAHYDROFURAN-2-YL]-METHYL]-1H-1,2,3-TRIAZOL-4-YL-AMINO]-4-OXO-BUTA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H52N6O9
InChI InChI=1S/C33H52N6O9/c1-4-6-8-10-12-14-30(42)46-22-25(47-31(43)15-13-11-9-7-5-2)16-28(41)34-18-24-20-38(37-36-24)21-27-26(40)17-29(48-27)39-19-23(3)32(44)35-33(39)45/h19-20,25-27,29,40H,4-18,21-22H2,1-3H3,(H,34,41)(H,35,44,45)/t25-,26-,27+,29+/m0/s1
InChIKey ZDJDNPUAZRWPTK-YJIPECKFSA-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 676.811 g/mol
Solvent CD3OD
Source File Reference UWIR9587