![N(6)-BENZOYL-9-[2',3'-DI-O-[-BIS-(4-METHOXYPHENYL)-(PHENYL)-METHYL]-BETA-D-ERYTHRO-FURANOSYL]-ADENINE](/api/spectrum/3b23sMVM3Wo/structure.png?h=300&w=458 "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
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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 |