| SpectraBase Compound ID | LDPbrUckPit |
|---|---|
| InChI | InChI=1S/C35H39F5N2O7/c1-17(2)14-23-33(45)47-22(18(3)30-31(49-30)19-10-7-6-8-11-19)12-9-13-24(43)42-21(32(44)41-16-35(4,5)34(46)48-23)15-20-25(36)27(38)29(40)28(39)26(20)37/h6-11,13,17-18,21-23,30-31H,12,14-16H2,1-5H3,(H,41,44)(H,42,43)/b13-9+/t18-,21+,22-,23-,30+,31+/m0/s1 |
| InChIKey | MBEKTGVAWHWSJI-UXGOZQRRSA-N |
| Mol Weight | 694.7 g/mol |
| Molecular Formula | C35H39F5N2O7 |
| Exact Mass | 694.267742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1F5AOzQH9pr |
|---|---|
| Name | UB-PENTAFLUOROPHENYL-CRYPTOPHYCIN-52 |
| Compound Number | 31 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H39F5N2O7 |
| InChI | InChI=1S/C35H39F5N2O7/c1-17(2)14-23-33(45)47-22(18(3)30-31(49-30)19-10-7-6-8-11-19)12-9-13-24(43)42-21(32(44)41-16-35(4,5)34(46)48-23)15-20-25(36)27(38)29(40)28(39)26(20)37/h6-11,13,17-18,21-23,30-31H,12,14-16H2,1-5H3,(H,41,44)(H,42,43)/b13-9+/t18-,21+,22-,23-,30+,31+/m0/s1 |
| InChIKey | MBEKTGVAWHWSJI-UXGOZQRRSA-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 | 694.696 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR11297 |