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1-(5'-O-<1-Oxo-but-2-en-1-yl>-2',3'-dideoxy-3'--phenylseleno-B-D-glycero-pentofuranosyl)-thymine

View entire compound with spectra: 1 NMR

1-(5'-O-<1-Oxo-but-2-en-1-yl>-2',3'-dideoxy-3'-<R>-phenylseleno-B-D-glycero-pentofuranosyl)-thymine
SpectraBase Compound ID B2SzDfArfHt
InChI InChI=1S/C20H22N2O5Se/c1-3-7-18(23)26-12-15-16(28-14-8-5-4-6-9-14)10-17(27-15)22-11-13(2)19(24)21-20(22)25/h3-9,11,15-17H,10,12H2,1-2H3,(H,21,24,25)/b7-3+
InChIKey ICYJUCJWSWUFEF-XVNBXDOJSA-N
Mol Weight 449.38 g/mol
Molecular Formula C20H22N2O5Se
Exact Mass 450.069394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64zfxpUfe2i
Name 1-(5'-O-<1-Oxo-but-2-en-1-yl>-2',3'-dideoxy-3'--phenylseleno-B-D-glycero-pentofuranosyl)-thymine
Comments 22.5 MHZ SPECTRUM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H22N2O5Se
InChI InChI=1S/C20H22N2O5Se/c1-3-7-18(23)26-12-15-16(28-14-8-5-4-6-9-14)10-17(27-15)22-11-13(2)19(24)21-20(22)25/h3-9,11,15-17H,10,12H2,1-2H3,(H,21,24,25)/b7-3+
InChIKey ICYJUCJWSWUFEF-XVNBXDOJSA-N
Instrument Name see comment
Literature Reference Z. Xi, P. Agback, A. Sandstroem, Tetrahedron 47, 9675 (1991).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3