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#8B;(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

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#8B;(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 5NcGEcTVbSN
InChI InChI=1S/C44H70N6O9/c1-5-8-10-12-14-16-18-20-22-24-41(53)57-33-36(58-42(54)25-23-21-19-17-15-13-11-9-6-2)27-39(52)45-29-35-31-48(47-46-35)32-38-37(51)28-40(59-38)50-30-34(4)43(55)49(26-7-3)44(50)56/h3,30-31,36-38,40,51H,5-6,8-29,32-33H2,1-2,4H3,(H,45,52)/t36-,37-,38+,40+/m0/s1
InChIKey UVZXMCHPXOFDCI-WEIYBTJCSA-N
Mol Weight 827.1 g/mol
Molecular Formula C44H70N6O9
Exact Mass 826.520428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ht1jLNkHCIZ
Name #8B;(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 C44H70N6O9
InChI InChI=1S/C44H70N6O9/c1-5-8-10-12-14-16-18-20-22-24-41(53)57-33-36(58-42(54)25-23-21-19-17-15-13-11-9-6-2)27-39(52)45-29-35-31-48(47-46-35)32-38-37(51)28-40(59-38)50-30-34(4)43(55)49(26-7-3)44(50)56/h3,30-31,36-38,40,51H,5-6,8-29,32-33H2,1-2,4H3,(H,45,52)/t36-,37-,38+,40+/m0/s1
InChIKey UVZXMCHPXOFDCI-WEIYBTJCSA-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 827.075 g/mol
Solvent CDCl3
Source File Reference UWIR9589