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N(6)-BENZOYL-9-[3'-N-[BIS-(PHENYL)-(4-METHOXYPHENYL)-METHYL]-3'-DEOXY-ALPHA-L-THREO-FURANOSYL]-ADENINE
SpectraBase Compound ID 6rbqax3t5Na
InChI InChI=1S/C36H32N6O4/c1-45-28-19-17-27(18-20-28)36(25-13-7-3-8-14-25,26-15-9-4-10-16-26)41-29-21-46-35(31(29)43)42-23-39-30-32(37-22-38-33(30)42)40-34(44)24-11-5-2-6-12-24/h2-20,22-23,29,31,35,41,43H,21H2,1H3,(H,37,38,40,44)/t29-,31+,35+/m1/s1
InChIKey DDBPTINTPPJKSM-LHSWRAOPSA-N
Mol Weight 612.7 g/mol
Molecular Formula C36H32N6O4
Exact Mass 612.248504 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2T9m7JcqwY9
Name N(6)-BENZOYL-9-[3'-N-[BIS-(PHENYL)-(4-METHOXYPHENYL)-METHYL]-3'-DEOXY-ALPHA-L-THREO-FURANOSYL]-ADENINE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H32N6O4
InChI InChI=1S/C36H32N6O4/c1-45-28-19-17-27(18-20-28)36(25-13-7-3-8-14-25,26-15-9-4-10-16-26)41-29-21-46-35(31(29)43)42-23-39-30-32(37-22-38-33(30)42)40-34(44)24-11-5-2-6-12-24/h2-20,22-23,29,31,35,41,43H,21H2,1H3,(H,37,38,40,44)/t29-,31+,35+/m1/s1
InChIKey DDBPTINTPPJKSM-LHSWRAOPSA-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 612.688 g/mol
Solvent CDCl3
Source File Reference UWMS21503