![1-[2'-DEOXY-5'-O-(4,4'-DIMRTHOXYTRIPHENYLMETHYL)-3'-O-BETA-D-THREO-PENTOFURANOSYL]-THYMINE-3'-(3-CARBOXYPROPANOATE)](/api/spectrum/JElRAdk1J6S/structure.png?h=300&w=458 "1-[2'-DEOXY-5'-O-(4,4'-DIMRTHOXYTRIPHENYLMETHYL)-3'-O-BETA-D-THREO-PENTOFURANOSYL]-THYMINE-3'-(3-CARBOXYPROPANOATE)")
| SpectraBase Compound ID | 8nY3g2MrNiS |
|---|---|
| InChI | InChI=1S/C35H36N2O10/c1-22-20-37(34(42)36-33(22)41)30-19-28(47-32(40)18-17-31(38)39)29(46-30)21-45-35(23-7-5-4-6-8-23,24-9-13-26(43-2)14-10-24)25-11-15-27(44-3)16-12-25/h4-16,20,28-30H,17-19,21H2,1-3H3,(H,38,39)(H,36,41,42)/t28-,29-,30-/m1/s1 |
| InChIKey | ZGIVSINMMBIEBQ-IDZRBWSNSA-N |
| Mol Weight | 644.7 g/mol |
| Molecular Formula | C35H36N2O10 |
| Exact Mass | 644.236995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JElRAdk1J6S |
|---|---|
| Name | 1-[2'-DEOXY-5'-O-(4,4'-DIMRTHOXYTRIPHENYLMETHYL)-3'-O-BETA-D-THREO-PENTOFURANOSYL]-THYMINE-3'-(3-CARBOXYPROPANOATE) |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H36N2O10 |
| InChI | InChI=1S/C35H36N2O10/c1-22-20-37(34(42)36-33(22)41)30-19-28(47-32(40)18-17-31(38)39)29(46-30)21-45-35(23-7-5-4-6-8-23,24-9-13-26(43-2)14-10-24)25-11-15-27(44-3)16-12-25/h4-16,20,28-30H,17-19,21H2,1-3H3,(H,38,39)(H,36,41,42)/t28-,29-,30-/m1/s1 |
| InChIKey | ZGIVSINMMBIEBQ-IDZRBWSNSA-N |
| Literature Reference Author | H.ROSEMEYER,F.SEELA |
| Literature Reference Citation | HELV.CHIM.ACTA,74,748(1991) |
| Literature Reference DOI | 10.1002/hlca.19910740408 |
| Molecular Weight | 644.678 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVP5487 |