![BENZYL-(S)-3-[9-(2,3,5-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL)-PURIN-6-YL]-2-[(BENZYLOXYCARBONYL)-AMINO]-PROPANOATE](/api/spectrum/BX8KuG1qCjv/structure.png?h=300&w=458 "BENZYL-(S)-3-[9-(2,3,5-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL)-PURIN-6-YL]-2-[(BENZYLOXYCARBONYL)-AMINO]-PROPANOATE")
| SpectraBase Compound ID | 9QZ45mYwt05 |
|---|---|
| InChI | InChI=1S/C34H35N5O11/c1-20(40)45-17-27-29(48-21(2)41)30(49-22(3)42)32(50-27)39-19-37-28-25(35-18-36-31(28)39)14-26(33(43)46-15-23-10-6-4-7-11-23)38-34(44)47-16-24-12-8-5-9-13-24/h4-13,18-19,26-27,29-30,32H,14-17H2,1-3H3,(H,38,44)/t26-,27+,29+,30+,32+/m0/s1 |
| InChIKey | SFHXSDVCCDIIQX-KSSBIAHCSA-N |
| Mol Weight | 689.7 g/mol |
| Molecular Formula | C34H35N5O11 |
| Exact Mass | 689.233307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BX8KuG1qCjv |
|---|---|
| Name | BENZYL-(S)-3-[9-(2,3,5-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL)-PURIN-6-YL]-2-[(BENZYLOXYCARBONYL)-AMINO]-PROPANOATE |
| Compound Number | (S)-7C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H35N5O11 |
| InChI | InChI=1S/C34H35N5O11/c1-20(40)45-17-27-29(48-21(2)41)30(49-22(3)42)32(50-27)39-19-37-28-25(35-18-36-31(28)39)14-26(33(43)46-15-23-10-6-4-7-11-23)38-34(44)47-16-24-12-8-5-9-13-24/h4-13,18-19,26-27,29-30,32H,14-17H2,1-3H3,(H,38,44)/t26-,27+,29+,30+,32+/m0/s1 |
| InChIKey | SFHXSDVCCDIIQX-KSSBIAHCSA-N |
| Literature Reference Author | P.CAPEK,R.POHL,M.HOCEK |
| Literature Reference Citation | J.ORG.CHEM.,69,7985(2004) |
| Literature Reference DOI | 10.1021/jo048812r |
| Molecular Weight | 689.679 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN22733 |