![1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRITYL)-3-C-(3-PHTHALIMIDOPROPYL)-ALPHA-D-ERYTHRO-PENTOFURANOSYL]-THYMINE](/api/spectrum/25oxgjSAPIY/structure.png?h=300&w=458 "1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRITYL)-3-C-(3-PHTHALIMIDOPROPYL)-ALPHA-D-ERYTHRO-PENTOFURANOSYL]-THYMINE")
| SpectraBase Compound ID | 2xPMh5B4iTa |
|---|---|
| InChI | InChI=1S/C42H41N3O9/c1-27-25-45(40(49)43-37(27)46)36-24-41(50,22-9-23-44-38(47)33-12-7-8-13-34(33)39(44)48)35(54-36)26-53-42(28-10-5-4-6-11-28,29-14-18-31(51-2)19-15-29)30-16-20-32(52-3)21-17-30/h4-8,10-21,25,35-36,50H,9,22-24,26H2,1-3H3,(H,43,46,49)/t35-,36+,41+/m1/s1 |
| InChIKey | BDJQBYYEWOCFRO-YBCDPXEJSA-N |
| Mol Weight | 731.8 g/mol |
| Molecular Formula | C42H41N3O9 |
| Exact Mass | 731.28428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 25oxgjSAPIY |
|---|---|
| Name | 1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRITYL)-3-C-(3-PHTHALIMIDOPROPYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-THYMINE |
| Compound Number | 25 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H41N3O9 |
| InChI | InChI=1S/C42H41N3O9/c1-27-25-45(40(49)43-37(27)46)36-24-41(50,22-9-23-44-38(47)33-12-7-8-13-34(33)39(44)48)35(54-36)26-53-42(28-10-5-4-6-11-28,29-14-18-31(51-2)19-15-29)30-16-20-32(52-3)21-17-30/h4-8,10-21,25,35-36,50H,9,22-24,26H2,1-3H3,(H,43,46,49)/t35-,36+,41+/m1/s1 |
| InChIKey | BDJQBYYEWOCFRO-YBCDPXEJSA-N |
| Literature Reference Author | P.N.JORGENSEN,U.S.SORENSEN,H.M.PFUNDHELLER,C.E.OLSEN,J.WENGE L |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3275(1997) |
| Literature Reference DOI | 10.1039/a703173d |
| Molecular Weight | 731.802 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU7226 |