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TRANS-HALOFUGINONE
SpectraBase Compound ID ATSIAU1rMDY
InChI InChI=1S/C16H17BrClN3O3/c17-11-5-10-13(6-12(11)18)20-8-21(16(10)24)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m1/s1
InChIKey JUEGMRXQYQHMFQ-CABCVRRESA-N
Mol Weight 414.69 g/mol
Molecular Formula C16H17BrClN3O3
Exact Mass 413.014182 g/mol
Enantiomer InChIKey JUEGMRXQYQHMFQ-LSDHHAIUSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETATEBUFFER;PH=3.9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Title Journal or Book Year
Conformational Analysis of Febrifugines and Halofuginones in Organic Solvents. Chemical and Pharmaceutical Bulletin 1998

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