![ETHYL-4-[(BENZOYLTHIOCARBAMOYL)-AMINO]-3-(2,3-O-ISOPROPYLIDENE-5-O-TRITYL-D-RIBOFURANOSYL)-ISOTHIAZOLE-5-CARBOXYLATE](/api/spectrum/JBXhyk8VTEH/structure.png?h=300&w=458 "ETHYL-4-[(BENZOYLTHIOCARBAMOYL)-AMINO]-3-(2,3-O-ISOPROPYLIDENE-5-O-TRITYL-D-RIBOFURANOSYL)-ISOTHIAZOLE-5-CARBOXYLATE")
| SpectraBase Compound ID | 1ZxYiRkKZXm |
|---|---|
| InChI | InChI=1S/C41H39N3O7S2/c1-4-47-38(46)36-32(42-39(52)43-37(45)26-17-9-5-10-18-26)31(44-53-36)34-35-33(50-40(2,3)51-35)30(49-34)25-48-41(27-19-11-6-12-20-27,28-21-13-7-14-22-28)29-23-15-8-16-24-29/h5-24,30,33-35H,4,25H2,1-3H3,(H2,42,43,45,52)/t30-,33-,34+,35-/m0/s1 |
| InChIKey | MHABXMMBDGGKRZ-BZGCTLJNSA-N |
| Mol Weight | 749.9 g/mol |
| Molecular Formula | C41H39N3O7S2 |
| Exact Mass | 749.222943 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JBXhyk8VTEH |
|---|---|
| Name | ETHYL-4-[(BENZOYLTHIOCARBAMOYL)-AMINO]-3-(2,3-O-ISOPROPYLIDENE-5-O-TRITYL-D-RIBOFURANOSYL)-ISOTHIAZOLE-5-CARBOXYLATE |
| Compound Number | 5-BETA |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H39N3O7S2 |
| InChI | InChI=1S/C41H39N3O7S2/c1-4-47-38(46)36-32(42-39(52)43-37(45)26-17-9-5-10-18-26)31(44-53-36)34-35-33(50-40(2,3)51-35)30(49-34)25-48-41(27-19-11-6-12-20-27,28-21-13-7-14-22-28)29-23-15-8-16-24-29/h5-24,30,33-35H,4,25H2,1-3H3,(H2,42,43,45,52)/t30-,33-,34+,35-/m0/s1 |
| InChIKey | MHABXMMBDGGKRZ-BZGCTLJNSA-N |
| Literature Reference Author | H.WAMHOFF,R.BERRESSEM,M.NIEGER |
| Literature Reference Citation | J.ORG.CHEM.,59,1912(1994) |
| Literature Reference DOI | 10.1021/jo00086a054 |
| Molecular Weight | 749.897 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP5143 |