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NAGELAMIDE_C

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NAGELAMIDE_C
SpectraBase Compound ID 3sGRgpq6Wcv
InChI InChI=1S/C22H20Br4N10O2/c23-10-6-13(32-17(10)25)19(37)29-4-1-2-12-16(36-22(28)34-12)9(15-8-31-21(27)35-15)3-5-30-20(38)14-7-11(24)18(26)33-14/h1-3,6-8,32-33H,4-5H2,(H,29,37)(H,30,38)(H3,27,31,35)(H3,28,34,36)/b2-1+,9-3+
InChIKey HVSCSPHJFJDZCZ-RJTULKDBSA-N
Mol Weight 776.09 g/mol
Molecular Formula C22H20Br4N10O2
Exact Mass 771.850422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ESnZe4gLrw
Name NAGELAMIDE_C
CAS Registry Number 690627-56-6
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20Br4N10O2
InChI InChI=1S/C22H20Br4N10O2/c23-10-6-13(32-17(10)25)19(37)29-4-1-2-12-16(36-22(28)34-12)9(15-8-31-21(27)35-15)3-5-30-20(38)14-7-11(24)18(26)33-14/h1-3,6-8,32-33H,4-5H2,(H,29,37)(H,30,38)(H3,27,31,35)(H3,28,34,36)/b2-1+,9-3+
InChIKey HVSCSPHJFJDZCZ-RJTULKDBSA-N
Literature Reference Author T.ENDO,M.TSUDA,T.OKADA,S.MITSUHASHI,H.SHIMA,K.KIKUCHI,Y.MIKA MI,J.FROMONT,J.I.KOB
Literature Reference Citation J.NAT.PROD.,67,1262(2004)
Literature Reference DOI 10.1021/np034077n
Molecular Weight 776.083 g/mol
Solvent DMSO-D6:CF3COOH=99:1
Source File Reference UWMZ7298