John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=10fhtWyFqQh SpectraBase Spectrum ID=533T6lAQMGb

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AFLAQUINOLONE_B
SpectraBase Compound ID 10fhtWyFqQh
InChI InChI=1S/C26H31NO5/c1-16-15-25(2,14-12-20(16)28)13-11-17-9-10-19-21(22(17)29)26(31,18-7-5-4-6-8-18)23(32-3)24(30)27-19/h4-11,13,16,20,23,28-29,31H,12,14-15H2,1-3H3,(H,27,30)/b13-11+/t16-,20+,23+,25+,26-/m0/s1
InChIKey VHCOEFMALBJZLE-AXOBRITRSA-N
Mol Weight 437.54 g/mol
Molecular Formula C26H31NO5
Exact Mass 437.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 533T6lAQMGb
Name AFLAQUINOLONE_B
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H31NO5
InChI InChI=1S/C26H31NO5/c1-16-15-25(2,14-12-20(16)28)13-11-17-9-10-19-21(22(17)29)26(31,18-7-5-4-6-8-18)23(32-3)24(30)27-19/h4-11,13,16,20,23,28-29,31H,12,14-15H2,1-3H3,(H,27,30)/b13-11+/t16-,20+,23+,25+,26-/m0/s1
InChIKey VHCOEFMALBJZLE-AXOBRITRSA-N
Literature Reference Author S.A.NEFF,S.U.LEE,Y.ASAMI,J.S.AHN,H.OH,J.BALTRUSAITIS,J.B.GLO ER,D.T.WICKLOW
Literature Reference Citation J.NAT.PROD.,75,464(2012)
Literature Reference DOI 10.1021/np200958r
Molecular Weight 437.536 g/mol
Sample ID 40190
Solvent CDCl3
SpectraBase Batch ID 8B2VeHIh1p4