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UB-PENTAFLUOROPHENYL-CRYPTOPHYCIN-52
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

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IiSPADz3lFB
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
Solvent CDCl3
Source File Reference UWIR11297