![N2-ISOBUTYRYL-9-[(2R,3R,4R,5R)-4-BENZOYLOXYMETHYL-5-(2-HYDROXYETHYL)-3-[(META-TRIFLUOROMETHYL)-BENZOYLOXY]-TETRAHYDROFURAN-2-YL]-GUANINE](/api/spectrum/AQEVwzb6DXK/structure.png?h=300&w=458 "N2-ISOBUTYRYL-9-[(2R,3R,4R,5R)-4-BENZOYLOXYMETHYL-5-(2-HYDROXYETHYL)-3-[(META-TRIFLUOROMETHYL)-BENZOYLOXY]-TETRAHYDROFURAN-2-YL]-GUANINE")
| SpectraBase Compound ID | DXe6eoiww4u |
|---|---|
| InChI | InChI=1S/2C31H30F3N5O8/c2*1-16(2)25(41)37-30-36-24-22(26(42)38-30)35-15-39(24)27-23(47-29(44)18-9-6-10-19(13-18)31(32,33)34)20(21(46-27)11-12-40)14-45-28(43)17-7-4-3-5-8-17/h2*3-10,13,15-16,20-21,23,27,40H,11-12,14H2,1-2H3,(H2,36,37,38,41,42)/t2*20-,21-,23-,27-/m00/s1 |
| InChIKey | CXHFUGZBLTWPQH-AFVWAPIJSA-N |
| Mol Weight | 1315.21 g/mol |
| Molecular Formula | C62H60F6N10O16 |
| Exact Mass | 1314.409295 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQEVwzb6DXK |
|---|---|
| Name | N2-ISOBUTYRYL-9-[(2R,3R,4R,5R)-4-BENZOYLOXYMETHYL-5-(2-HYDROXYETHYL)-3-[(META-TRIFLUOROMETHYL)-BENZOYLOXY]-TETRAHYDROFURAN-2-YL]-GUANINE |
| Compound Number | 12A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H60F6N10O16 |
| InChI | InChI=1S/2C31H30F3N5O8/c2*1-16(2)25(41)37-30-36-24-22(26(42)38-30)35-15-39(24)27-23(47-29(44)18-9-6-10-19(13-18)31(32,33)34)20(21(46-27)11-12-40)14-45-28(43)17-7-4-3-5-8-17/h2*3-10,13,15-16,20-21,23,27,40H,11-12,14H2,1-2H3,(H2,36,37,38,41,42)/t2*20-,21-,23-,27-/m00/s1 |
| InChIKey | CXHFUGZBLTWPQH-AFVWAPIJSA-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 | 1315.206 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU26092 |