![1-[2'-DEOXY-5'-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-THREO-PENTOFURANOSYL]-THYMINE-3'-(TRIETHYLAMMONIUM-PHOSPHONATE)](/api/spectrum/IVLYhEbCAmY/structure.png?h=300&w=458 "1-[2'-DEOXY-5'-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-THREO-PENTOFURANOSYL]-THYMINE-3'-(TRIETHYLAMMONIUM-PHOSPHONATE)")
| SpectraBase Compound ID | EL2RnOiB0R4 |
|---|---|
| InChI | InChI=1S/C31H33N2O9P.C6H15N/c1-20-18-33(30(35)32-29(20)34)28-17-26(42-43(36)37)27(41-28)19-40-31(21-7-5-4-6-8-21,22-9-13-24(38-2)14-10-22)23-11-15-25(39-3)16-12-23;1-4-7(5-2)6-3/h4-16,18,26-28,43H,17,19H2,1-3H3,(H,36,37)(H,32,34,35);4-6H2,1-3H3/t26-,27-,28-;/m0./s1 |
| InChIKey | YUFCDSCMPYDLEI-JAQKLANPSA-N |
| Mol Weight | 709.8 g/mol |
| Molecular Formula | C37H48N3O9P |
| Exact Mass | 709.312817 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IVLYhEbCAmY |
|---|---|
| Name | 1-[2'-DEOXY-5'-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-THREO-PENTOFURANOSYL]-THYMINE-3'-(TRIETHYLAMMONIUM-PHOSPHONATE) |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H48N3O9P |
| InChI | InChI=1S/C31H33N2O9P.C6H15N/c1-20-18-33(30(35)32-29(20)34)28-17-26(42-43(36)37)27(41-28)19-40-31(21-7-5-4-6-8-21,22-9-13-24(38-2)14-10-22)23-11-15-25(39-3)16-12-23;1-4-7(5-2)6-3/h4-16,18,26-28,43H,17,19H2,1-3H3,(H,36,37)(H,32,34,35);4-6H2,1-3H3/t26-,27-,28-;/m0./s1 |
| InChIKey | YUFCDSCMPYDLEI-JAQKLANPSA-N |
| Literature Reference Author | H.ROSEMEYER,F.SEELA |
| Literature Reference Citation | HELV.CHIM.ACTA,74,748(1991) |
| Literature Reference DOI | 10.1002/hlca.19910740408 |
| Solvent | DMSO-D6 |
| Source File Reference | UWVP5486 |