| SpectraBase Compound ID | 7CLje063Ib9 |
|---|---|
| InChI | InChI=1S/C32H40N2O13S2/c1-23-18-34(30(37)33-28(23)36)29-27(46-24(2)35)32(43-20-26-14-9-6-10-15-26,16-11-17-42-19-25-12-7-5-8-13-25)31(47-29,21-44-48(3,38)39)22-45-49(4,40)41/h5-10,12-15,18,27,29H,11,16-17,19-22H2,1-4H3,(H,33,36,37)/t27-,29+,32-/m1/s1 |
| InChIKey | FDFCAOYZTMWZSN-LFWISAHLSA-N |
| Mol Weight | 724.8 g/mol |
| Molecular Formula | C32H40N2O13S2 |
| Exact Mass | 724.197182 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G2wZRpQDjub |
|---|---|
| Name | 1-(2-O-ACETYL-3-O-BENZYL-3-C-(3-BENZYLOXY)-PROPYL-5-O-MESYL-4-C-HYDROXYMETHYL-BETA-D-ERYTHRO-PENTOFURANOSYL)-THYMINE |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H40N2O13S2 |
| InChI | InChI=1S/C32H40N2O13S2/c1-23-18-34(30(37)33-28(23)36)29-27(46-24(2)35)32(43-20-26-14-9-6-10-15-26,16-11-17-42-19-25-12-7-5-8-13-25)31(47-29,21-44-48(3,38)39)22-45-49(4,40)41/h5-10,12-15,18,27,29H,11,16-17,19-22H2,1-4H3,(H,33,36,37)/t27-,29+,32-/m1/s1 |
| InChIKey | FDFCAOYZTMWZSN-LFWISAHLSA-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 | 724.795 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN22416 |