![1-[2-O-ACETYL-3-C-(3-AZIDOPROPYL)-3-O-BENZYL-5-O-MESYL-4-C-MESYLOXYMETHYL-BETA-D-ERYTHRO-PENTOFURANOSYL]-THYMINE](/api/spectrum/8V6UsoMDvwb/structure.png?h=300&w=458 "1-[2-O-ACETYL-3-C-(3-AZIDOPROPYL)-3-O-BENZYL-5-O-MESYL-4-C-MESYLOXYMETHYL-BETA-D-ERYTHRO-PENTOFURANOSYL]-THYMINE")
| SpectraBase Compound ID | 7oFQcndysj2 |
|---|---|
| InChI | InChI=1S/C25H33N5O12S2/c1-17-13-30(23(33)28-21(17)32)22-20(41-18(2)31)25(11-8-12-27-29-26,38-14-19-9-6-5-7-10-19)24(42-22,15-39-43(3,34)35)16-40-44(4,36)37/h5-7,9-10,13,20,22H,8,11-12,14-16H2,1-4H3,(H,28,32,33)/t20-,22+,25-/m1/s1 |
| InChIKey | WDSQNRKHQUJOCJ-JLRUASKGSA-N |
| Mol Weight | 659.7 g/mol |
| Molecular Formula | C25H33N5O12S2 |
| Exact Mass | 659.156714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8V6UsoMDvwb |
|---|---|
| Name | 1-[2-O-ACETYL-3-C-(3-AZIDOPROPYL)-3-O-BENZYL-5-O-MESYL-4-C-MESYLOXYMETHYL-BETA-D-ERYTHRO-PENTOFURANOSYL]-THYMINE |
| Compound Number | 34 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H33N5O12S2 |
| InChI | InChI=1S/C25H33N5O12S2/c1-17-13-30(23(33)28-21(17)32)22-20(41-18(2)31)25(11-8-12-27-29-26,38-14-19-9-6-5-7-10-19)24(42-22,15-39-43(3,34)35)16-40-44(4,36)37/h5-7,9-10,13,20,22H,8,11-12,14-16H2,1-4H3,(H,28,32,33)/t20-,22+,25-/m1/s1 |
| InChIKey | WDSQNRKHQUJOCJ-JLRUASKGSA-N |
| Literature Reference Author | M.MELDGAARD,F.G.HANSEN,J.WENGEL |
| Literature Reference Citation | J.ORG.CHEM.,69,6310(2004) |
| Literature Reference DOI | 10.1021/jo049159a |
| Molecular Weight | 659.683 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN22427 |