| SpectraBase Compound ID | 8fE1Y75bKJi |
|---|---|
| InChI | InChI=1S/2C22H25BrN3O9P/c2*1-12-4-3-5-15-10-31-36(30,35-19(12)15)32-11-17-16(34-21(28)13(2)24)8-18(33-17)26-9-14(6-7-23)20(27)25-22(26)29/h2*3-7,9,13,16-18H,8,10-11,24H2,1-2H3,(H,25,27,29)/b2*7-6+/t2*13-,16-,17+,18+,36?/m11/s1 |
| InChIKey | OYFJZXPCAXGPNL-YFWRMQDOSA-N |
| Mol Weight | 1172.66 g/mol |
| Molecular Formula | C44H50Br2N6O18P2 |
| Exact Mass | 1170.102359 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BEOhhJRvIRu |
|---|---|
| Name | CYCLO-(3-METHYLSALIGENYL)-5'-O-(E)-5-(2-BROMOVINYL)-(2'-DEOXY-3'-O-D-ALANYLURIDINYL)-PHOSPHATE;3-ME-CYCLO-3'-O-D-ALA-BVDUMP |
| Compound Number | 4C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H50Br2N6O18P2 |
| InChI | InChI=1S/2C22H25BrN3O9P/c2*1-12-4-3-5-15-10-31-36(30,35-19(12)15)32-11-17-16(34-21(28)13(2)24)8-18(33-17)26-9-14(6-7-23)20(27)25-22(26)29/h2*3-7,9,13,16-18H,8,10-11,24H2,1-2H3,(H,25,27,29)/b2*7-6+/t2*13-,16-,17+,18+,36?/m11/s1 |
| InChIKey | OYFJZXPCAXGPNL-YFWRMQDOSA-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 | 1172.666 g/mol |
| Sample ID | 65652 |
| Solvent | DMSO-D6 |