| SpectraBase Compound ID | LBdX2NISSyU |
|---|---|
| InChI | InChI=1S/C28H32N2O8S/c1-4-15-28(36-18-22-13-9-6-10-14-22)23(19-35-17-21-11-7-5-8-12-21)37-26(24(28)38-39(3,33)34)30-16-20(2)25(31)29-27(30)32/h4-14,16,23-24,26H,1,15,17-19H2,2-3H3,(H,29,31,32)/t23-,24+,26-,28-/m0/s1 |
| InChIKey | YHUYZCMDSPEGHM-CBZDIVBHSA-N |
| Mol Weight | 556.6 g/mol |
| Molecular Formula | C28H32N2O8S |
| Exact Mass | 556.187937 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5egVEQMPNvm |
|---|---|
| Name | 1-(3-C-ALLYL-3,5-DI-O-BENZYL-2-O-METHYLSULFONYL-BETA-D-RIBOFURANOSYL)-THYMINE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H32N2O8S |
| InChI | InChI=1S/C28H32N2O8S/c1-4-15-28(36-18-22-13-9-6-10-14-22)23(19-35-17-21-11-7-5-8-12-21)37-26(24(28)38-39(3,33)34)30-16-20(2)25(31)29-27(30)32/h4-14,16,23-24,26H,1,15,17-19H2,2-3H3,(H,29,31,32)/t23-,24+,26-,28-/m0/s1 |
| InChIKey | YHUYZCMDSPEGHM-CBZDIVBHSA-N |
| Literature Reference Author | P.NIELSEN,H.M.PFUNDHELLER,C.E.OLSEN,J.WENGEL |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3423(1997) |
| Literature Reference DOI | 10.1039/a703176i |
| Molecular Weight | 556.631 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU8027 |