![N4-BENZOYL-1-[(2R,3R,4R,5R)-4-BENZOYLOXYMETHYL-5-(2-HYDROXYETHYL)-3-[(META-TRIFLUOROMETHYL)-BENZOYLOXY]-TETRAHYDROFURAN-2-YL]-CYTOSINE](/api/spectrum/1zviSikzlev/structure.png?h=300&w=458 "N4-BENZOYL-1-[(2R,3R,4R,5R)-4-BENZOYLOXYMETHYL-5-(2-HYDROXYETHYL)-3-[(META-TRIFLUOROMETHYL)-BENZOYLOXY]-TETRAHYDROFURAN-2-YL]-CYTOSINE")
| SpectraBase Compound ID | D2Uqtjzjjv1 |
|---|---|
| InChI | InChI=1S/C33H28F3N3O8/c34-33(35,36)23-13-7-12-22(18-23)31(43)47-27-24(19-45-30(42)21-10-5-2-6-11-21)25(15-17-40)46-29(27)39-16-14-26(38-32(39)44)37-28(41)20-8-3-1-4-9-20/h1-14,16,18,24-25,27,29,40H,15,17,19H2,(H,37,38,41,44)/t24-,25-,27-,29-/m0/s1 |
| InChIKey | BSDJQCTWMCUWFU-JVGXHWGJSA-N |
| Mol Weight | 651.6 g/mol |
| Molecular Formula | C33H28F3N3O8 |
| Exact Mass | 651.182849 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1zviSikzlev |
|---|---|
| Name | N4-BENZOYL-1-[(2R,3R,4R,5R)-4-BENZOYLOXYMETHYL-5-(2-HYDROXYETHYL)-3-[(META-TRIFLUOROMETHYL)-BENZOYLOXY]-TETRAHYDROFURAN-2-YL]-CYTOSINE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H28F3N3O8 |
| InChI | InChI=1S/C33H28F3N3O8/c34-33(35,36)23-13-7-12-22(18-23)31(43)47-27-24(19-45-30(42)21-10-5-2-6-11-21)25(15-17-40)46-29(27)39-16-14-26(38-32(39)44)37-28(41)20-8-3-1-4-9-20/h1-14,16,18,24-25,27,29,40H,15,17,19H2,(H,37,38,41,44)/t24-,25-,27-,29-/m0/s1 |
| InChIKey | BSDJQCTWMCUWFU-JVGXHWGJSA-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 | 651.596 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU26089 |