| SpectraBase Compound ID | Bu004P9bE81 |
|---|---|
| InChI | InChI=1S/C30H31N5O8/c1-17(2)25(37)33-30-32-24-22(26(38)34-30)31-16-35(24)27-23(43-29(40)19-11-7-4-8-12-19)20(21(42-27)13-14-36)15-41-28(39)18-9-5-3-6-10-18/h3-12,16-17,20-21,23,27,36H,13-15H2,1-2H3,(H2,32,33,34,37,38)/t20-,21-,23-,27-/m0/s1 |
| InChIKey | OWOVKPGRONFVBH-VSJOZVSVSA-N |
| Mol Weight | 589.61 g/mol |
| Molecular Formula | C30H31N5O8 |
| Exact Mass | 589.217263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 667rIS8TmVQ |
|---|---|
| Name | N(2)-ISOBUTYRYL-9-(2'-BENZOYL-3'-BENZOYLOXYMETHYL-3',5'-DIDEOXY-BETA-D-ALLO-FURANOSYL)-GUANINE |
| Compound Number | 2 0 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H31N5O8 |
| InChI | InChI=1S/C30H31N5O8/c1-17(2)25(37)33-30-32-24-22(26(38)34-30)31-16-35(24)27-23(43-29(40)19-11-7-4-8-12-19)20(21(42-27)13-14-36)15-41-28(39)18-9-5-3-6-10-18/h3-12,16-17,20-21,23,27,36H,13-15H2,1-2H3,(H2,32,33,34,37,38)/t20-,21-,23-,27-/m0/s1 |
| InChIKey | OWOVKPGRONFVBH-VSJOZVSVSA-N |
| Literature Reference Author | C.RICHERT,A.L.ROUGHTON,S.A.BENNER |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,4518(1996) |
| Literature Reference DOI | 10.1021/ja952322m |
| Molecular Weight | 589.605 g/mol |
| Sample ID | 57093 |
| Solvent | CDCl3 |