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(3'S,5'R)-N6-BENZOYL-9-{2'-DEOXY-5'-O-[(4,4'-DIMETHOXYTRIPHENYL)-METHYL]-3',5'-ETHANO-BETA-D-RIBOFURANOSYL}-ADENINE
SpectraBase Compound ID 6gkJ7EZSzng
InChI InChI=1S/C40H37N5O6/c1-48-30-17-13-28(14-18-30)40(27-11-7-4-8-12-27,29-15-19-31(49-2)20-16-29)51-32-21-22-39(47)23-33(50-35(32)39)45-25-43-34-36(41-24-42-37(34)45)44-38(46)26-9-5-3-6-10-26/h3-20,24-25,32-33,35,47H,21-23H2,1-2H3,(H,41,42,44,46)/t32-,33-,35-,39+/m1/s1
InChIKey XWIPPOPUDLSADQ-UATUWKRRSA-N
Mol Weight 683.8 g/mol
Molecular Formula C40H37N5O6
Exact Mass 683.274384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5dWmss6xui4
Name (3'S,5'R)-N6-BENZOYL-9-{2'-DEOXY-5'-O-[(4,4'-DIMETHOXYTRIPHENYL)-METHYL]-3',5'-ETHANO-BETA-D-RIBOFURANOSYL}-ADENINE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H37N5O6
InChI InChI=1S/C40H37N5O6/c1-48-30-17-13-28(14-18-30)40(27-11-7-4-8-12-27,29-15-19-31(49-2)20-16-29)51-32-21-22-39(47)23-33(50-35(32)39)45-25-43-34-36(41-24-42-37(34)45)44-38(46)26-9-5-3-6-10-26/h3-20,24-25,32-33,35,47H,21-23H2,1-2H3,(H,41,42,44,46)/t32-,33-,35-,39+/m1/s1
InChIKey XWIPPOPUDLSADQ-UATUWKRRSA-N
Literature Reference Author M.TARKOEY,M.BOLLI,C.LEUMANN
Literature Reference Citation HELV.CHIM.ACTA,77,716(1994)
Molecular Weight 683.764 g/mol
Solvent CDCl3
Source File Reference UWPR1352