| SpectraBase Compound ID | E0S43Gv6xna |
|---|---|
| InChI | InChI=1S/2C29H38BrN2O9P/c2*1-3-4-5-6-7-8-9-13-26(33)40-23-16-25(32-17-21(14-15-30)28(34)31-29(32)35)39-24(23)19-38-42(36)37-18-22-12-10-11-20(2)27(22)41-42/h2*10-12,14-15,17,23-25H,3-9,13,16,18-19H2,1-2H3,(H,31,34,35)/b2*15-14+/t2*23-,24+,25+,42?/m11/s1 |
| InChIKey | RTBLUHGOUZSNEJ-SLAOFAQWSA-N |
| Mol Weight | 1339.0 g/mol |
| Molecular Formula | C58H76Br2N4O18P2 |
| Exact Mass | 1336.299662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6GsEAryopec |
|---|---|
| Name | CYCLO-(3-METHYLSALIGENYL)-5'-O-(E)-5-(2-BROMOVINYL)-3'-O-DECANOYL-(2'-DEOXYURIDINYL)-PHOSPHATE;3-ME-CYCLO-SAL-3'-O-DEC-BVDUMP |
| Compound Number | 3F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H76Br2N4O18P2 |
| InChI | InChI=1S/2C29H38BrN2O9P/c2*1-3-4-5-6-7-8-9-13-26(33)40-23-16-25(32-17-21(14-15-30)28(34)31-29(32)35)39-24(23)19-38-42(36)37-18-22-12-10-11-20(2)27(22)41-42/h2*10-12,14-15,17,23-25H,3-9,13,16,18-19H2,1-2H3,(H,31,34,35)/b2*15-14+/t2*23-,24+,25+,42?/m11/s1 |
| InChIKey | RTBLUHGOUZSNEJ-SLAOFAQWSA-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 | 1339.013 g/mol |
| Sample ID | 65648 |
| Solvent | CDCl3 |