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AGELASTATIN_F

View entire compound with spectra: 1 NMR

AGELASTATIN_F
SpectraBase Compound ID 8esrHCy2Swq
InChI InChI=1S/C11H10Br2N4O3/c12-3-1-4-9(18)14-6-5(17(4)8(3)13)2-11(20)7(6)15-10(19)16-11/h1,5-7,20H,2H2,(H,14,18)(H2,15,16,19)/t5-,6-,7+,11+/m1/s1
InChIKey XDTDQGZBMQLKIM-MNRJBDMISA-N
Mol Weight 406.03 g/mol
Molecular Formula C11H10Br2N4O3
Exact Mass 403.911966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3v2E7s8IjFu
Name AGELASTATIN_F
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H10Br2N4O3
InChI InChI=1S/C11H10Br2N4O3/c12-3-1-4-9(18)14-6-5(17(4)8(3)13)2-11(20)7(6)15-10(19)16-11/h1,5-7,20H,2H2,(H,14,18)(H2,15,16,19)/t5-,6-,7+,11+/m1/s1
InChIKey XDTDQGZBMQLKIM-MNRJBDMISA-N
Literature Reference Author S.TILVI,C.MORIOU,M.T.MARTIN,J.F.GALLARD,J.SORRES,K.PATEL,S.P ETEK,C.DEBITUS,L.ERM
Literature Reference Citation J.NAT.PROD.,73,720(2010)
Literature Reference DOI 10.1021/np900539j
Molecular Weight 406.033 g/mol
Sample ID 35363
Solvent CD3OD