![N6-BENZOYL-7-[(2R,3R,4R,5R)-4-BENZOYLOXYMETHYL-5-(2-HYDROXYETHYL)-3-[(META-TRIFLUOROMETHYL)-BENZOYLOXY]-TETRAHYDROFURAN-2-YL]-ADENINE](/api/spectrum/51MtaZceDTS/structure.png?h=300&w=458 "N6-BENZOYL-7-[(2R,3R,4R,5R)-4-BENZOYLOXYMETHYL-5-(2-HYDROXYETHYL)-3-[(META-TRIFLUOROMETHYL)-BENZOYLOXY]-TETRAHYDROFURAN-2-YL]-ADENINE")
| SpectraBase Compound ID | AVa85VED8XK |
|---|---|
| InChI | InChI=1S/2C34H28F3N5O7/c2*35-34(36,37)23-13-7-12-22(16-23)33(46)49-27-24(17-47-32(45)21-10-5-2-6-11-21)25(14-15-43)48-31(27)42-19-40-28-26(42)29(39-18-38-28)41-30(44)20-8-3-1-4-9-20/h2*1-13,16,18-19,24-25,27,31,43H,14-15,17H2,(H,38,39,41,44)/t2*24-,25-,27-,31-/m00/s1 |
| InChIKey | MUCMLNCGQINMKT-OFJFWHNPSA-N |
| Mol Weight | 1351.2 g/mol |
| Molecular Formula | C68H56F6N10O14 |
| Exact Mass | 1350.388165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51MtaZceDTS |
|---|---|
| Name | N6-BENZOYL-7-[(2R,3R,4R,5R)-4-BENZOYLOXYMETHYL-5-(2-HYDROXYETHYL)-3-[(META-TRIFLUOROMETHYL)-BENZOYLOXY]-TETRAHYDROFURAN-2-YL]-ADENINE |
| Compound Number | 10B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H56F6N10O14 |
| InChI | InChI=1S/2C34H28F3N5O7/c2*35-34(36,37)23-13-7-12-22(16-23)33(46)49-27-24(17-47-32(45)21-10-5-2-6-11-21)25(14-15-43)48-31(27)42-19-40-28-26(42)29(39-18-38-28)41-30(44)20-8-3-1-4-9-20/h2*1-13,16,18-19,24-25,27,31,43H,14-15,17H2,(H,38,39,41,44)/t2*24-,25-,27-,31-/m00/s1 |
| InChIKey | MUCMLNCGQINMKT-OFJFWHNPSA-N |
| Literature Reference Author | Z.HUANG,S.A.BENNER |
| Literature Reference Citation | J.ORG.CHEM.,67,3996(2002) |
| Literature Reference DOI | 10.1021/jo0003910 |
| Molecular Weight | 1351.242 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU26091 |