| SpectraBase Compound ID | 3G529DpQysI |
|---|---|
| InChI | InChI=1S/C39H48FN5O4/c1-38(2,3)42-36(47)31-24-43(23-27-14-11-17-41-22-27)18-19-44(31)25-32(46)34(40)30(20-26-12-7-6-8-13-26)37(48)45-35-29-16-10-9-15-28(29)21-33(35)49-39(45,4)5/h6-17,22,30-31,33-35H,18-21,23-25H2,1-5H3,(H,42,47)/t30-,31-,33+,34-,35-/m0/s1 |
| InChIKey | YQLYJJSYWWROHI-CVNYJJDFSA-N |
| Mol Weight | 669.8 g/mol |
| Molecular Formula | C39H48FN5O4 |
| Exact Mass | 669.369033 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Fb49VqEaxE |
|---|---|
| Name | MAJOR-ROTAMER |
| Compound Number | ANTI-#4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H48FN5O4 |
| InChI | InChI=1S/C39H48FN5O4/c1-38(2,3)42-36(47)31-24-43(23-27-14-11-17-41-22-27)18-19-44(31)25-32(46)34(40)30(20-26-12-7-6-8-13-26)37(48)45-35-29-16-10-9-15-28(29)21-33(35)49-39(45,4)5/h6-17,22,30-31,33-35H,18-21,23-25H2,1-5H3,(H,42,47)/t30-,31-,33+,34-,35-/m0/s1 |
| InChIKey | YQLYJJSYWWROHI-CVNYJJDFSA-N |
| Literature Reference Author | A.G.MYERS,J.K.BARBAY |
| Literature Reference Citation | ORG.LETTERS,3,425(2001) |
| Literature Reference DOI | 10.1021/ol006931x |
| Solvent | CDCl3 |
| Source File Reference | UWLU35411 |