![6-N-[(DI-N-BUTYLAMINO)-METHYLENE]-3'-[N-(9-FLUORENYL)-METHOXYCARBONYL-L-(O-METHYL)-TYROSYLAMINO]-3'-DEOXY-BETA-D-ADENOSINE](/api/spectrum/9nYzsNzG4Pa/structure.png?h=300&w=458 "6-N-[(DI-N-BUTYLAMINO)-METHYLENE]-3'-[N-(9-FLUORENYL)-METHOXYCARBONYL-L-(O-METHYL)-TYROSYLAMINO]-3'-DEOXY-BETA-D-ADENOSINE")
| SpectraBase Compound ID | JTJw92WlS07 |
|---|---|
| InChI | InChI=1S/C44H52N8O7/c1-4-6-20-51(21-7-5-2)26-48-40-38-41(46-25-45-40)52(27-47-38)43-39(54)37(36(23-53)59-43)50-42(55)35(22-28-16-18-29(57-3)19-17-28)49-44(56)58-24-34-32-14-10-8-12-30(32)31-13-9-11-15-33(31)34/h8-19,25-27,34-37,39,43,53-54H,4-7,20-24H2,1-3H3,(H,49,56)(H,50,55)/b48-26+/t35-,36+,37+,39+,43+/m0/s1 |
| InChIKey | GMIRLNQAXCTRBR-ODXJMCSTSA-N |
| Mol Weight | 804.9 g/mol |
| Molecular Formula | C44H52N8O7 |
| Exact Mass | 804.395896 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9nYzsNzG4Pa |
|---|---|
| Name | 6-N-[(DI-N-BUTYLAMINO)-METHYLENE]-3'-[N-(9-FLUORENYL)-METHOXYCARBONYL-L-(O-METHYL)-TYROSYLAMINO]-3'-DEOXY-BETA-D-ADENOSINE |
| Compound Number | 13C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H52N8O7 |
| InChI | InChI=1S/C44H52N8O7/c1-4-6-20-51(21-7-5-2)26-48-40-38-41(46-25-45-40)52(27-47-38)43-39(54)37(36(23-53)59-43)50-42(55)35(22-28-16-18-29(57-3)19-17-28)49-44(56)58-24-34-32-14-10-8-12-30(32)31-13-9-11-15-33(31)34/h8-19,25-27,34-37,39,43,53-54H,4-7,20-24H2,1-3H3,(H,49,56)(H,50,55)/b48-26+/t35-,36+,37+,39+,43+/m0/s1 |
| InChIKey | GMIRLNQAXCTRBR-ODXJMCSTSA-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 | 804.946 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25617 |