| SpectraBase Compound ID | BRIqlwIzH5i |
|---|---|
| InChI | InChI=1S/C46H54N5O14PS/c1-27(2)41(54)47-35-21-23-50(44(55)48-35)42-39(59-5)37(53)33(63-42)26-62-66(7,67)65-38-34(64-43(40(38)60-6)51-24-22-36(52)49-45(51)56)25-61-46(28-11-9-8-10-12-28,29-13-17-31(57-3)18-14-29)30-15-19-32(58-4)20-16-30/h8-24,27,33-34,37-40,42-43,53H,25-26H2,1-7H3,(H,49,52,56)(H,47,48,54,55)/t33-,34-,37-,38-,39-,40-,42-,43-,66?/m0/s1 |
| InChIKey | MUHPWRJSYYPINO-FOIXSOFFSA-N |
| Mol Weight | 964.0 g/mol |
| Molecular Formula | C46H54N5O14PS |
| Exact Mass | 963.31256 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KOJp9IZqZG2 |
|---|---|
| Name | (SP)-5'-O-DMT-2'-OME-URIDIN-3'-YL-(3',5')-3'-O-(N4-ISOBUTYRYL-2'-OME-CYTIDINE)-3'-METHYLPHOSPHONOTHIOATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H54N5O14PS |
| InChI | InChI=1S/C46H54N5O14PS/c1-27(2)41(54)47-35-21-23-50(44(55)48-35)42-39(59-5)37(53)33(63-42)26-62-66(7,67)65-38-34(64-43(40(38)60-6)51-24-22-36(52)49-45(51)56)25-61-46(28-11-9-8-10-12-28,29-13-17-31(57-3)18-14-29)30-15-19-32(58-4)20-16-30/h8-24,27,33-34,37-40,42-43,53H,25-26H2,1-7H3,(H,49,52,56)(H,47,48,54,55)/t33-,34-,37-,38-,39-,40-,42-,43-,66?/m0/s1 |
| InChIKey | MUHPWRJSYYPINO-FOIXSOFFSA-N |
| Literature Reference Author | L.A.WOZNIAK,M.JANICKA,M.BUKOWIECKA-MATUSIAK |
| Literature Reference Citation | EUR.J.ORG.CHEM.,5189(2005) |
| Solvent | CDCl3 |
| Source File Reference | UWLU42660 |