| SpectraBase Compound ID | AttIU8P0Zpj |
|---|---|
| InChI | InChI=1S/2C25H31BrN3O9P/c2*1-14(2)9-18(27)24(31)37-19-10-21(29-11-16(7-8-26)23(30)28-25(29)32)36-20(19)13-35-39(33)34-12-17-6-4-5-15(3)22(17)38-39/h2*4-8,11,14,18-21H,9-10,12-13,27H2,1-3H3,(H,28,30,32)/b2*8-7+/t2*18-,19-,20+,21+,39?/m11/s1 |
| InChIKey | QWWUBMYIWYYVTE-CGQFFDJDSA-N |
| Mol Weight | 1256.83 g/mol |
| Molecular Formula | C50H62Br2N6O18P2 |
| Exact Mass | 1254.196259 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BjmouQACpjA |
|---|---|
| Name | CYCLO-(3-METHYLSALIGENYL)-5'-O-(E)-5-(2-BROMOVINYL)-(2'-DEOXY-3'-O-D-LEUCINYLURIDINYL)-PHOSPHATE;3-ME-CYCLO-3'-O-D-LEU-BVDUMP |
| Compound Number | 4G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H62Br2N6O18P2 |
| InChI | InChI=1S/2C25H31BrN3O9P/c2*1-14(2)9-18(27)24(31)37-19-10-21(29-11-16(7-8-26)23(30)28-25(29)32)36-20(19)13-35-39(33)34-12-17-6-4-5-15(3)22(17)38-39/h2*4-8,11,14,18-21H,9-10,12-13,27H2,1-3H3,(H,28,30,32)/b2*8-7+/t2*18-,19-,20+,21+,39?/m11/s1 |
| InChIKey | QWWUBMYIWYYVTE-CGQFFDJDSA-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 | UWLU65656 |