| SpectraBase Compound ID | CJ3WMJWW6Sd |
|---|---|
| InChI | InChI=1S/C21H26N2O7/c1-3-9-21(29-11-15-7-5-4-6-8-15)16(26)18(30-20(21,12-24)13-25)23-10-14(2)17(27)22-19(23)28/h3-8,10,16,18,24-26H,1,9,11-13H2,2H3,(H,22,27,28)/t16-,18+,21-/m1/s1 |
| InChIKey | JREVJRYOQPPGNT-PLMTUMEDSA-N |
| Mol Weight | 418.45 g/mol |
| Molecular Formula | C21H26N2O7 |
| Exact Mass | 418.174001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6WJloIX1JMM |
|---|---|
| Name | 1-(3-C-ALLYL-3-O-BENZYL-4-C-HYDROXYMETHYL-BETA-D-ERYTHROPENTOFURANOSYL)-THYMINE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H26N2O7 |
| InChI | InChI=1S/C21H26N2O7/c1-3-9-21(29-11-15-7-5-4-6-8-15)16(26)18(30-20(21,12-24)13-25)23-10-14(2)17(27)22-19(23)28/h3-8,10,16,18,24-26H,1,9,11-13H2,2H3,(H,22,27,28)/t16-,18+,21-/m1/s1 |
| InChIKey | JREVJRYOQPPGNT-PLMTUMEDSA-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 | 418.447 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN22405 |