![DEIBENZYL-3'-O-[6-BENZYLOXY-CARBONYL-AMINO)-HEXANOYL]-THAMIDIN-5'-YL-PHOSPHATE](/api/spectrum/6YzqV0l8sPY/structure.png?h=300&w=458 "DEIBENZYL-3'-O-[6-BENZYLOXY-CARBONYL-AMINO)-HEXANOYL]-THAMIDIN-5'-YL-PHOSPHATE")
| SpectraBase Compound ID | JOYUrzCbCKr |
|---|---|
| InChI | InChI=1S/C38H44N3O11P/c1-28-23-41(37(44)40-36(28)43)34-22-32(52-35(42)20-12-5-13-21-39-38(45)47-24-29-14-6-2-7-15-29)33(51-34)27-50-53(46,48-25-30-16-8-3-9-17-30)49-26-31-18-10-4-11-19-31/h2-4,6-11,14-19,23,32-34H,5,12-13,20-22,24-27H2,1H3,(H,39,45)(H,40,43,44)/t32-,33+,34+/m1/s1 |
| InChIKey | KWVKWCSJCMKOLP-WKNISULPSA-N |
| Mol Weight | 749.8 g/mol |
| Molecular Formula | C38H44N3O11P |
| Exact Mass | 749.271346 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6YzqV0l8sPY |
|---|---|
| Name | DEIBENZYL-3'-O-[6-BENZYLOXY-CARBONYL-AMINO)-HEXANOYL]-THAMIDIN-5'-YL-PHOSPHATE |
| Compound Number | 6 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C38H44N3O11P/c1-28-23-41(37(44)40-36(28)43)34-22-32(52-35(42)20-12-5-13-21-39-38(45)47-24-29-14-6-2-7-15-29)33(51-34)27-50-53(46,48-25-30-16-8-3-9-17-30)49-26-31-18-10-4-11-19-31/h2-4,6-11,14-19,23,32-34H,5,12-13,20-22,24-27H2,1H3,(H,39,45)(H,40,43,44)/t32-,33+,34+/m1/s1 |
| InChIKey | KWVKWCSJCMKOLP-WKNISULPSA-N |
| Literature Reference | R.S.SARFATI,T.BERTHOD,C.GUERREIRO,B.CANARD J.CHEM.SOC.PERKIN-1,1163(1995) |
| Solvent | Dimethyl sulfoxide-d6 |