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1-[3',4-DIDEHYDRO-3',4'-DIDEOXY-1',6'-DI-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-PSICOFURANOSYL]-URACIL
SpectraBase Compound ID H05w6KLpj8I
InChI InChI=1S/C52H48N2O9/c1-57-43-23-15-39(16-24-43)51(37-11-7-5-8-12-37,40-17-25-44(58-2)26-18-40)61-35-47-31-33-50(63-47,54-34-32-48(55)53-49(54)56)36-62-52(38-13-9-6-10-14-38,41-19-27-45(59-3)28-20-41)42-21-29-46(60-4)30-22-42/h5-34,47H,35-36H2,1-4H3,(H,53,55,56)/t47-,50-/m0/s1
InChIKey BHYSFRUNBUMHRH-RUYBCWNZSA-N
Mol Weight 845.0 g/mol
Molecular Formula C52H48N2O9
Exact Mass 844.335981 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JU2AABvqRVY
Name 1-[3',4-DIDEHYDRO-3',4'-DIDEOXY-1',6'-DI-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-PSICOFURANOSYL]-URACIL
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H48N2O9
InChI InChI=1S/C52H48N2O9/c1-57-43-23-15-39(16-24-43)51(37-11-7-5-8-12-37,40-17-25-44(58-2)26-18-40)61-35-47-31-33-50(63-47,54-34-32-48(55)53-49(54)56)36-62-52(38-13-9-6-10-14-38,41-19-27-45(59-3)28-20-41)42-21-29-46(60-4)30-22-42/h5-34,47H,35-36H2,1-4H3,(H,53,55,56)/t47-,50-/m0/s1
InChIKey BHYSFRUNBUMHRH-RUYBCWNZSA-N
Literature Reference Author L.KVAERNO,R.H.WIGHTMAN,J.WENGEL
Literature Reference Citation J.ORG.CHEM.,66,5106(2001)
Literature Reference DOI 10.1021/jo015602v
Molecular Weight 844.961 g/mol
Solvent CDCl3
Source File Reference UWLU27173