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N(6)-BENZOYL-9-[2',3'-DI-O-[-BIS-(4-METHOXYPHENYL)-(PHENYL)-METHYL]-BETA-D-ERYTHRO-FURANOSYL]-ADENINE
SpectraBase Compound ID 5gq66Kxyn1a
InChI InChI=1S/C58H51N5O8/c1-65-46-28-20-42(21-29-46)57(40-16-10-6-11-17-40,43-22-30-47(66-2)31-23-43)70-50-36-69-56(63-38-61-51-53(59-37-60-54(51)63)62-55(64)39-14-8-5-9-15-39)52(50)71-58(41-18-12-7-13-19-41,44-24-32-48(67-3)33-25-44)45-26-34-49(68-4)35-27-45/h5-35,37-38,50,52,56H,36H2,1-4H3,(H,59,60,62,64)/t50-,52-,56-/m0/s1
InChIKey VXYBJRNNRLOYKL-AQWIVHCJSA-N
Mol Weight 946.1 g/mol
Molecular Formula C58H51N5O8
Exact Mass 945.373764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3b23sMVM3Wo
Name N(6)-BENZOYL-9-[2',3'-DI-O-[-BIS-(4-METHOXYPHENYL)-(PHENYL)-METHYL]-BETA-D-ERYTHRO-FURANOSYL]-ADENINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H51N5O8
InChI InChI=1S/C58H51N5O8/c1-65-46-28-20-42(21-29-46)57(40-16-10-6-11-17-40,43-22-30-47(66-2)31-23-43)70-50-36-69-56(63-38-61-51-53(59-37-60-54(51)63)62-55(64)39-14-8-5-9-15-39)52(50)71-58(41-18-12-7-13-19-41,44-24-32-48(67-3)33-25-44)45-26-34-49(68-4)35-27-45/h5-35,37-38,50,52,56H,36H2,1-4H3,(H,59,60,62,64)/t50-,52-,56-/m0/s1
InChIKey VXYBJRNNRLOYKL-AQWIVHCJSA-N
Literature Reference Author M.FERENCIC,G.REDDY,X.WU,S.GUNTHA,J.NANDY,R.KRISHNAMURTHY,A.E SCHENMOSER
Literature Reference Citation CHEM.BIODIV.,1,939(2004)
Literature Reference DOI 10.1002/cbdv.200490083
Molecular Weight 946.072 g/mol
Solvent DMSO-D6
Source File Reference UWMS21496