| SpectraBase Compound ID | Fr6heHuUwk1 |
|---|---|
| InChI | InChI=1S/2C25H31BrN3O9P/c2*1-4-14(2)21(27)24(31)37-18-10-20(29-11-16(8-9-26)23(30)28-25(29)32)36-19(18)13-35-39(33)34-12-17-7-5-6-15(3)22(17)38-39/h2*5-9,11,14,18-21H,4,10,12-13,27H2,1-3H3,(H,28,30,32)/b2*9-8+/t2*14-,18+,19-,20-,21-,39?/m00/s1 |
| InChIKey | LLOZORAVUPKLHU-PTIVCLADSA-N |
| Mol Weight | 1256.83 g/mol |
| Molecular Formula | C50H62Br2N6O18P2 |
| Exact Mass | 1254.196259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HvP8quI5CSO |
|---|---|
| Name | CYCLO-(3-METHYLSALIGENYL)-5'-O-(E)-5-(2-BROMOVINYL)-(2'-DEOXY-3'-O-L-ISOLEUCINYLURIDINYL)-PHOSPHATE;3-ME-CYCLO-3'-O-L-ILE-BVDUMP |
| Compound Number | 4H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H62Br2N6O18P2 |
| InChI | InChI=1S/2C25H31BrN3O9P/c2*1-4-14(2)21(27)24(31)37-18-10-20(29-11-16(8-9-26)23(30)28-25(29)32)36-19(18)13-35-39(33)34-12-17-7-5-6-15(3)22(17)38-39/h2*5-9,11,14,18-21H,4,10,12-13,27H2,1-3H3,(H,28,30,32)/b2*9-8+/t2*14-,18+,19-,20-,21-,39?/m00/s1 |
| InChIKey | LLOZORAVUPKLHU-PTIVCLADSA-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 |
| Molecular Weight | 1256.827 g/mol |
| Sample ID | 65657 |
| Solvent | DMSO-D6 |