| SpectraBase Compound ID | 3wPuPkxx3Ay |
|---|---|
| InChI | InChI=1S/2C28H29BrN3O9P/c2*1-17-6-5-9-20-15-37-42(36,41-25(17)20)38-16-23-22(40-27(34)21(30)12-18-7-3-2-4-8-18)13-24(39-23)32-14-19(10-11-29)26(33)31-28(32)35/h2*2-11,14,21-24H,12-13,15-16,30H2,1H3,(H,31,33,35)/b2*11-10+/t2*21-,22-,23+,24+,42?/m11/s1 |
| InChIKey | BVXGBQLJBCCXRP-XFFVBKRNSA-N |
| Mol Weight | 1324.86 g/mol |
| Molecular Formula | C56H58Br2N6O18P2 |
| Exact Mass | 1322.164959 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JUPiST6hrZn |
|---|---|
| Name | CYCLO-(3-METHYLSALIGENYL)-5'-O-(E)-5-(2-BROMOVINYL)-(2'-DEOXY-3'-O-D-PHENYLALANYLURIDINYL)-PHOSPHATE;3-ME-CYCLO-3'-O-D-PHE-BVDUMP |
| Compound Number | 4K |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H58Br2N6O18P2 |
| InChI | InChI=1S/2C28H29BrN3O9P/c2*1-17-6-5-9-20-15-37-42(36,41-25(17)20)38-16-23-22(40-27(34)21(30)12-18-7-3-2-4-8-18)13-24(39-23)32-14-19(10-11-29)26(33)31-28(32)35/h2*2-11,14,21-24H,12-13,15-16,30H2,1H3,(H,31,33,35)/b2*11-10+/t2*21-,22-,23+,24+,42?/m11/s1 |
| InChIKey | BVXGBQLJBCCXRP-XFFVBKRNSA-N |
| Literature Reference Author | C.MEIER,A.LOMP,A.MEERBACH,P.WUTZLER |
| Literature Reference Citation | J.MED.CHEM.,45,5157(2002) |
| Literature Reference DOI | 10.1021/jm0209275 |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU65660 |