| SpectraBase Compound ID | 85WYRC6AyHS |
|---|---|
| InChI | InChI=1S/C37H44ClF3N2O8/c1-20(2)16-29-34(46)49-27(21(3)31-32(51-31)23-11-13-24(14-12-23)37(39,40)41)8-7-9-30(44)43-26(18-22-10-15-28(48-6)25(38)17-22)33(45)42-19-36(4,5)35(47)50-29/h7,9-15,17,20-21,26-27,29,31-32H,8,16,18-19H2,1-6H3,(H,42,45)(H,43,44)/b9-7+/t21-,26+,27-,29-,31+,32+/m0/s1 |
| InChIKey | NITZWGIOTMFGKX-BBLMWRSGSA-N |
| Mol Weight | 737.2 g/mol |
| Molecular Formula | C37H44ClF3N2O8 |
| Exact Mass | 736.273829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1S3omqSTRUZ |
|---|---|
| Name | UA-C(4')-TRIFLUOROMETHYL-CRYPTOPHYCIN-52 |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H44ClF3N2O8 |
| InChI | InChI=1S/C37H44ClF3N2O8/c1-20(2)16-29-34(46)49-27(21(3)31-32(51-31)23-11-13-24(14-12-23)37(39,40)41)8-7-9-30(44)43-26(18-22-10-15-28(48-6)25(38)17-22)33(45)42-19-36(4,5)35(47)50-29/h7,9-15,17,20-21,26-27,29,31-32H,8,16,18-19H2,1-6H3,(H,42,45)(H,43,44)/b9-7+/t21-,26+,27-,29-,31+,32+/m0/s1 |
| InChIKey | NITZWGIOTMFGKX-BBLMWRSGSA-N |
| Literature Reference Author | C.WEIB,T.BOGNER,B.SAMMET,N.SEWALD |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,2060(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.231 |
| Molecular Weight | 737.213 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR11291 |