| SpectraBase Compound ID | D19jJtPkYyn |
|---|---|
| InChI | InChI=1S/2C25H30BrN2O9P/c2*1-3-4-5-9-22(29)36-19-12-21(28-13-17(10-11-26)24(30)27-25(28)31)35-20(19)15-34-38(32)33-14-18-8-6-7-16(2)23(18)37-38/h2*6-8,10-11,13,19-21H,3-5,9,12,14-15H2,1-2H3,(H,27,30,31)/b2*11-10+/t2*19-,20+,21+,38?/m11/s1 |
| InChIKey | DGWIZHGMUGNFKK-CSSQESGFSA-N |
| Mol Weight | 1226.8 g/mol |
| Molecular Formula | C50H60Br2N4O18P2 |
| Exact Mass | 1224.174461 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 29wdcesHNDC |
|---|---|
| Name | CYCLO-(3-METHYLSALIGENYL)-5'-O-(E)-5-(2-BROMOVINYL)-3'-O-HEXANOYL-(2'-DEOXYURIDINYL)-PHOSPHATE;3-ME-CYCLO-SAL-3'-O-HEX-BVDUMP |
| Compound Number | 3E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H60Br2N4O18P2 |
| InChI | InChI=1S/2C25H30BrN2O9P/c2*1-3-4-5-9-22(29)36-19-12-21(28-13-17(10-11-26)24(30)27-25(28)31)35-20(19)15-34-38(32)33-14-18-8-6-7-16(2)23(18)37-38/h2*6-8,10-11,13,19-21H,3-5,9,12,14-15H2,1-2H3,(H,27,30,31)/b2*11-10+/t2*19-,20+,21+,38?/m11/s1 |
| InChIKey | DGWIZHGMUGNFKK-CSSQESGFSA-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 | 1226.798 g/mol |
| Sample ID | 65647 |
| Solvent | CDCl3 |