| SpectraBase Compound ID | 5YmKzyY7A9M |
|---|---|
| InChI | InChI=1S/2C24H27BrN3O9P/c2*1-14-4-2-5-16-12-33-38(32,37-21(14)16)34-13-19-18(36-23(30)17-6-3-9-26-17)10-20(35-19)28-11-15(7-8-25)22(29)27-24(28)31/h2*2,4-5,7-8,11,17-20,26H,3,6,9-10,12-13H2,1H3,(H,27,29,31)/b2*8-7+/t2*17-,18-,19+,20+,38?/m11/s1 |
| InChIKey | ZHDDLOOVOBYCBD-CMUXNNDSSA-N |
| Mol Weight | 1224.74 g/mol |
| Molecular Formula | C48H54Br2N6O18P2 |
| Exact Mass | 1222.133659 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EWMpoNjZJ2L |
|---|---|
| Name | CYCLO-(3-METHYLSALIGENYL)-5'-O-(E)-5-(2-BROMOVINYL)-(2'-DEOXY-3'-O-D-PROLINYLURIDINYL)-PHOSPHATE;3-ME-CYCLO-3'-O-D-PRO-BVDUMP |
| Compound Number | 4M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H54Br2N6O18P2 |
| InChI | InChI=1S/2C24H27BrN3O9P/c2*1-14-4-2-5-16-12-33-38(32,37-21(14)16)34-13-19-18(36-23(30)17-6-3-9-26-17)10-20(35-19)28-11-15(7-8-25)22(29)27-24(28)31/h2*2,4-5,7-8,11,17-20,26H,3,6,9-10,12-13H2,1H3,(H,27,29,31)/b2*8-7+/t2*17-,18-,19+,20+,38?/m11/s1 |
| InChIKey | ZHDDLOOVOBYCBD-CMUXNNDSSA-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 | UWLU65662 |