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APHROCALLISTIN;MAJOR_ROTAMER
SpectraBase Compound ID 1zZZfFQCE1V
InChI InChI=1S/C20H24Br2N6O2/c1-13(29)27(2)7-5-14-9-15(21)18(16(22)10-14)30-8-4-6-23-19-17-20(25-11-24-17)28(3)12-26-19/h9-12,23H,4-8H2,1-3H3
InChIKey ONIZXWNHLRRDOK-UHFFFAOYSA-N
Mol Weight 540.26 g/mol
Molecular Formula C20H24Br2N6O2
Exact Mass 538.03275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gn9lGJd5A1P
Name APHROCALLISTIN;MAJOR_ROTAMER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H24Br2N6O2
InChI InChI=1S/C20H24Br2N6O2/c1-13(29)27(2)7-5-14-9-15(21)18(16(22)10-14)30-8-4-6-23-19-17-20(25-11-24-17)28(3)12-26-19/h9-12,23H,4-8H2,1-3H3
InChIKey ONIZXWNHLRRDOK-UHFFFAOYSA-N
Literature Reference Author A.E.WRIGHT,G.P.ROTH,J.K.HOFFMAN,D.B.DIVLIANSKA,D.PECHTER,S.H .SENNETT,E.A.GUZMANM
Literature Reference Citation J.NAT.PROD.,72,1178(2009)
Literature Reference DOI 10.1021/np900183v
Molecular Weight 540.258 g/mol
Sample ID 33097
Solvent CD3OD