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4-Benzylamino-2-methylthio-7-(2,3,5-tri-O-benzyl-B-D-arabinofuranosyl)-pyrrolo(2,3-D)pyrimidine

View entire compound with spectra: 1 NMR

4-Benzylamino-2-methylthio-7-(2,3,5-tri-O-benzyl-B-D-arabinofuranosyl)-pyrrolo(2,3-D)pyrimidine
SpectraBase Compound ID 5AdvFN4NGqn
InChI InChI=1S/C40H40N4O4S/c1-49-40-42-37(41-24-29-14-6-2-7-15-29)33-22-23-44(38(33)43-40)39-36(47-27-32-20-12-5-13-21-32)35(46-26-31-18-10-4-11-19-31)34(48-39)28-45-25-30-16-8-3-9-17-30/h2-23,34-36,39H,24-28H2,1H3,(H,41,42,43)
InChIKey JRLCKXBKRMWQRV-UHFFFAOYSA-N
Mol Weight 672.8 g/mol
Molecular Formula C40H40N4O4S
Exact Mass 672.277027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWwNY05zwcA
Name 4-Benzylamino-2-methylthio-7-(2,3,5-tri-O-benzyl-B-D-arabinofuranosyl)-pyrrolo(2,3-D)pyrimidine
CAS Registry Number 74895-42-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H40N4O4S
InChI InChI=1S/C40H40N4O4S/c1-49-40-42-37(41-24-29-14-6-2-7-15-29)33-22-23-44(38(33)43-40)39-36(47-27-32-20-12-5-13-21-32)35(46-26-31-18-10-4-11-19-31)34(48-39)28-45-25-30-16-8-3-9-17-30/h2-23,34-36,39H,24-28H2,1H3,(H,41,42,43)
InChIKey JRLCKXBKRMWQRV-UHFFFAOYSA-N
Instrument Name Bruker HX-60
Literature Reference H. Winkeler, F. Seela, Chem. Ber. 113, 2069 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6