![1-[5-O-(4,4'-DIMETHOXYTRITYL)-3-C-(ETHANOYL)-3-O-(TRIETHYLAMMONIUMPHOSPHONYL)-2-DEOXY-BETA-D-THREO-PENTOFURANOSYL]-THYMINE](/api/spectrum/CXyXcTyDejJ/structure.png?h=300&w=458 "1-[5-O-(4,4'-DIMETHOXYTRITYL)-3-C-(ETHANOYL)-3-O-(TRIETHYLAMMONIUMPHOSPHONYL)-2-DEOXY-BETA-D-THREO-PENTOFURANOSYL]-THYMINE")
| SpectraBase Compound ID | AN6KQg4cP74 |
|---|---|
| InChI | InChI=1S/2C33H35N2O10P.2C6H15N/c2*1-21-19-35(31(38)34-30(21)37)29-18-32(22(2)36,45-46(39)40)28(44-29)20-43-33(23-8-6-5-7-9-23,24-10-14-26(41-3)15-11-24)25-12-16-27(42-4)17-13-25;2*1-4-7(5-2)6-3/h2*5-17,19,28-29,46H,18,20H2,1-4H3,(H,39,40)(H,34,37,38);2*4-6H2,1-3H3/t2*28-,29-,32+;;/m00../s1 |
| InChIKey | ACOSFPGWSRXLAU-NEOHMSNFSA-N |
| Mol Weight | 1503.63 g/mol |
| Molecular Formula | C78H100N6O20P2 |
| Exact Mass | 1502.646764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXyXcTyDejJ |
|---|---|
| Name | 1-[5-O-(4,4'-DIMETHOXYTRITYL)-3-C-(ETHANOYL)-3-O-(TRIETHYLAMMONIUMPHOSPHONYL)-2-DEOXY-BETA-D-THREO-PENTOFURANOSYL]-THYMINE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H98N6O20P2 |
| InChI | InChI=1S/2C33H35N2O10P.2C6H15N/c2*1-21-19-35(31(38)34-30(21)37)29-18-32(22(2)36,45-46(39)40)28(44-29)20-43-33(23-8-6-5-7-9-23,24-10-14-26(41-3)15-11-24)25-12-16-27(42-4)17-13-25;2*1-4-7(5-2)6-3/h2*5-17,19,28-29,46H,18,20H2,1-4H3,(H,39,40)(H,34,37,38);2*4-6H2,1-3H3/t2*28-,29-,32+;;/m00../s1 |
| InChIKey | ACOSFPGWSRXLAU-NEOHMSNFSA-N |
| Literature Reference Author | A.C.BRYANT-FRIEDRICH |
| Literature Reference Citation | ORG.LETTERS,6,2329(2004) |
| Literature Reference DOI | 10.1021/ol0493453 |
| Molecular Weight | 1501.612 g/mol |
| Sample ID | 52398 |
| Solvent | CDCl3 |