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AGELASTATIN_E

View entire compound with spectra: 1 NMR, and 1 MS (GC)

AGELASTATIN_E
SpectraBase Compound ID 34RpSINzxSC
InChI InChI=1S/C13H15BrN4O3/c1-17-12(20)16-10-9-7(5-13(10,17)21-2)18-6(11(19)15-9)3-4-8(18)14/h3-4,7,9-10H,5H2,1-2H3,(H,15,19)(H,16,20)/t7-,9-,10+,13+/m1/s1
InChIKey UWPJTBJKXNLTOH-PZWLIILKSA-N
Mol Weight 355.19 g/mol
Molecular Formula C13H15BrN4O3
Exact Mass 354.032753 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ICHg0UdsCkj
Name AGELASTATIN_E
Compound Number 3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H15BrN4O3
InChI InChI=1S/C13H15BrN4O3/c1-17-12(20)16-10-9-7(5-13(10,17)21-2)18-6(11(19)15-9)3-4-8(18)14/h3-4,7,9-10H,5H2,1-2H3,(H,15,19)(H,16,20)/t7-,9-,10+,13+/m1/s1
InChIKey UWPJTBJKXNLTOH-PZWLIILKSA-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 355.191 g/mol
Sample ID 35362
Solvent CD3OD