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#8A;(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 3pWJ84NHY7Z
InChI InChI=1S/C56H90N6O9/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-53(65)69-45-48(70-54(66)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2)39-51(64)57-41-47-43-60(59-58-47)44-50-49(63)40-52(71-50)62-42-46(4)55(67)61(38-7-3)56(62)68/h3,20-23,42-43,48-50,52,63H,5-6,8-19,24-41,44-45H2,1-2,4H3,(H,57,64)/b22-20-,23-21-/t48-,49-,50+,52+/m0/s1
InChIKey TWSICJNURFQOAE-IAMGWLJHSA-N
Mol Weight 991.4 g/mol
Molecular Formula C56H90N6O9
Exact Mass 990.676928 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQDm1WdH2m4
Name #8A;(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 C56H90N6O9
InChI InChI=1S/C56H90N6O9/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-53(65)69-45-48(70-54(66)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2)39-51(64)57-41-47-43-60(59-58-47)44-50-49(63)40-52(71-50)62-42-46(4)55(67)61(38-7-3)56(62)68/h3,20-23,42-43,48-50,52,63H,5-6,8-19,24-41,44-45H2,1-2,4H3,(H,57,64)/b22-20-,23-21-/t48-,49-,50+,52+/m0/s1
InChIKey TWSICJNURFQOAE-IAMGWLJHSA-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 991.365 g/mol
Solvent CDCl3
Source File Reference UWIR9588