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#7B;(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

#7B;(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 5iOFRb3cLGP
InChI InChI=1S/C41H68N6O9/c1-4-6-8-10-12-14-16-18-20-22-38(50)54-30-33(55-39(51)23-21-19-17-15-13-11-9-7-5-2)24-36(49)42-26-32-28-46(45-44-32)29-35-34(48)25-37(56-35)47-27-31(3)40(52)43-41(47)53/h27-28,33-35,37,48H,4-26,29-30H2,1-3H3,(H,42,49)(H,43,52,53)/t33-,34-,35+,37+/m0/s1
InChIKey RSPQEWIFFCRBTH-XCMRQWDBSA-N
Mol Weight 789.0 g/mol
Molecular Formula C41H68N6O9
Exact Mass 788.504778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IucGMWlp4ey
Name #7B;(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 C41H68N6O9
InChI InChI=1S/C41H68N6O9/c1-4-6-8-10-12-14-16-18-20-22-38(50)54-30-33(55-39(51)23-21-19-17-15-13-11-9-7-5-2)24-36(49)42-26-32-28-46(45-44-32)29-35-34(48)25-37(56-35)47-27-31(3)40(52)43-41(47)53/h27-28,33-35,37,48H,4-26,29-30H2,1-3H3,(H,42,49)(H,43,52,53)/t33-,34-,35+,37+/m0/s1
InChIKey RSPQEWIFFCRBTH-XCMRQWDBSA-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 789.026 g/mol
Solvent CDCl3:CD3OD=9.5:0.5
Source File Reference UWIR9586