![6-N-[(DI-N-BUTYLAMINO)-METHYLENE]-3'-[N-(9-FLUORENYL)-METHOXYCARBONYL-L-(BETA-NAPHTHYL)-ALANYLAMINO]-3'-DEOXY-BETA-D-ADENOSINE](/api/spectrum/GS3wco8ei2L/structure.png?h=300&w=458 "6-N-[(DI-N-BUTYLAMINO)-METHYLENE]-3'-[N-(9-FLUORENYL)-METHOXYCARBONYL-L-(BETA-NAPHTHYL)-ALANYLAMINO]-3'-DEOXY-BETA-D-ADENOSINE")
| SpectraBase Compound ID | 1WOB1TTHrUJ |
|---|---|
| InChI | InChI=1S/C47H52N8O6/c1-3-5-21-54(22-6-4-2)28-51-43-41-44(49-27-48-43)55(29-50-41)46-42(57)40(39(25-56)61-46)53-45(58)38(24-30-19-20-31-13-7-8-14-32(31)23-30)52-47(59)60-26-37-35-17-11-9-15-33(35)34-16-10-12-18-36(34)37/h7-20,23,27-29,37-40,42,46,56-57H,3-6,21-22,24-26H2,1-2H3,(H,52,59)(H,53,58)/b51-28+/t38-,39+,40+,42+,46+/m0/s1 |
| InChIKey | SQDBPEOGDTYFID-TXVBRTQZSA-N |
| Mol Weight | 825.0 g/mol |
| Molecular Formula | C47H52N8O6 |
| Exact Mass | 824.400981 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GS3wco8ei2L |
|---|---|
| Name | 6-N-[(DI-N-BUTYLAMINO)-METHYLENE]-3'-[N-(9-FLUORENYL)-METHOXYCARBONYL-L-(BETA-NAPHTHYL)-ALANYLAMINO]-3'-DEOXY-BETA-D-ADENOSINE |
| Compound Number | 13B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H52N8O6 |
| InChI | InChI=1S/C47H52N8O6/c1-3-5-21-54(22-6-4-2)28-51-43-41-44(49-27-48-43)55(29-50-41)46-42(57)40(39(25-56)61-46)53-45(58)38(24-30-19-20-31-13-7-8-14-32(31)23-30)52-47(59)60-26-37-35-17-11-9-15-33(35)34-16-10-12-18-36(34)37/h7-20,23,27-29,37-40,42,46,56-57H,3-6,21-22,24-26H2,1-2H3,(H,52,59)(H,53,58)/b51-28+/t38-,39+,40+,42+,46+/m0/s1 |
| InChIKey | SQDBPEOGDTYFID-TXVBRTQZSA-N |
| Literature Reference Author | N.Q.NGUYEN-TRUNG,O.BOTTA,S.TERENZI,P.STRAZEWSKI |
| Literature Reference Citation | J.ORG.CHEM.,68,2038(2003) |
| Literature Reference DOI | 10.1021/jo026627c |
| Molecular Weight | 824.980 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25616 |