![#21;1-[(2R,3R,4R,5R)-4-BENZOYLOXYMETHYL-5-[2-(4,4'-DIMETHOXYTRIPHENYLMETHOXY)-ETHYL]-3-[(META-TRIFLUOROMETHYL)-BENZOYLOXY]-TETRAHYDROFURAN-2-YL]-URACIL](/api/spectrum/7OVA4zQ4R58/structure.png?h=300&w=458 "#21;1-[(2R,3R,4R,5R)-4-BENZOYLOXYMETHYL-5-[2-(4,4'-DIMETHOXYTRIPHENYLMETHOXY)-ETHYL]-3-[(META-TRIFLUOROMETHYL)-BENZOYLOXY]-TETRAHYDROFURAN-2-YL]-URACIL")
| SpectraBase Compound ID | 33oaILqqAfo |
|---|---|
| InChI | InChI=1S/C47H41F3N2O10/c1-57-36-20-16-33(17-21-36)46(32-13-7-4-8-14-32,34-18-22-37(58-2)23-19-34)60-27-25-39-38(29-59-43(54)30-10-5-3-6-11-30)41(42(61-39)52-26-24-40(53)51-45(52)56)62-44(55)31-12-9-15-35(28-31)47(48,49)50/h3-24,26,28,38-39,41-42H,25,27,29H2,1-2H3,(H,51,53,56)/t38-,39-,41-,42-/m1/s1 |
| InChIKey | XUOIQOZRSAVOKA-QWLCRKLBSA-N |
| Mol Weight | 850.8 g/mol |
| Molecular Formula | C47H41F3N2O10 |
| Exact Mass | 850.27133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7OVA4zQ4R58 |
|---|---|
| Name | #21;1-[(2R,3R,4R,5R)-4-BENZOYLOXYMETHYL-5-[2-(4,4'-DIMETHOXYTRIPHENYLMETHOXY)-ETHYL]-3-[(META-TRIFLUOROMETHYL)-BENZOYLOXY]-TETRAHYDROFURAN-2-YL]-URACIL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H41F3N2O10 |
| InChI | InChI=1S/C47H41F3N2O10/c1-57-36-20-16-33(17-21-36)46(32-13-7-4-8-14-32,34-18-22-37(58-2)23-19-34)60-27-25-39-38(29-59-43(54)30-10-5-3-6-11-30)41(42(61-39)52-26-24-40(53)51-45(52)56)62-44(55)31-12-9-15-35(28-31)47(48,49)50/h3-24,26,28,38-39,41-42H,25,27,29H2,1-2H3,(H,51,53,56)/t38-,39-,41-,42-/m1/s1 |
| InChIKey | XUOIQOZRSAVOKA-QWLCRKLBSA-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 | 850.845 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU26094 |