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3-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-5-{[(DIMETHYLAMINO)-METHYLIDENE]-AMIN-3,6-DIHYDRO-7H-1,2,3-TRIAZOLO-[4,5-D]PYRIMIDIN-7-ONE
SpectraBase Compound ID 3iLlzafwxzE
InChI InChI=1S/C33H35N7O6/c1-39(2)20-34-32-35-30-29(31(42)36-32)37-38-40(30)28-18-26(41)27(46-28)19-45-33(21-8-6-5-7-9-21,22-10-14-24(43-3)15-11-22)23-12-16-25(44-4)17-13-23/h5-17,20,26-28,41H,18-19H2,1-4H3,(H,35,36,42)/b34-20+/t26-,27+,28+/m0/s1
InChIKey YKTNYXWTYBTVLN-IIAAALKNSA-N
Mol Weight 625.7 g/mol
Molecular Formula C33H35N7O6
Exact Mass 625.264882 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ThXh5HR6W2
Name 3-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-5-{[(DIMETHYLAMINO)-METHYLIDENE]-AMIN-3,6-DIHYDRO-7H-1,2,3-TRIAZOLO-[4,5-D]PYRIMIDIN-7-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H35N7O6
InChI InChI=1S/C33H35N7O6/c1-39(2)20-34-32-35-30-29(31(42)36-32)37-38-40(30)28-18-26(41)27(46-28)19-45-33(21-8-6-5-7-9-21,22-10-14-24(43-3)15-11-22)23-12-16-25(44-4)17-13-23/h5-17,20,26-28,41H,18-19H2,1-4H3,(H,35,36,42)/b34-20+/t26-,27+,28+/m0/s1
InChIKey YKTNYXWTYBTVLN-IIAAALKNSA-N
Literature Reference Author F.SEELA,S.LAMPE
Literature Reference Citation HELV.CHIM.ACTA,77,1003(1994)
Literature Reference DOI 10.1002/hlca.19940770413
Molecular Weight 625.684 g/mol
Solvent DMSO-D6
Source File Reference UWPR1235