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HEMIFISTULARIN-3

View entire compound with spectra: 1 NMR

HEMIFISTULARIN-3
SpectraBase Compound ID 47WxtqXXTN6
InChI InChI=1S/C18H16Br4N2O6/c1-29-15-10(21)4-18(16(27)14(15)22)5-11(24-30-18)17(28)23-6-12(26)13-8(19)2-7(25)3-9(13)20/h2-4,12,16,25-27H,5-6H2,1H3,(H,23,28)/t12?,16-,18+/m0/s1
InChIKey WOPAKCNTCVPRID-IQHYPMEHSA-N
Mol Weight 675.95 g/mol
Molecular Formula C18H16Br4N2O6
Exact Mass 671.774188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3sy22dX4qwv
Name HEMIFISTULARIN-3
Compound Number 71
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16Br4N2O6
InChI InChI=1S/C18H16Br4N2O6/c1-29-15-10(21)4-18(16(27)14(15)22)5-11(24-30-18)17(28)23-6-12(26)13-8(19)2-7(25)3-9(13)20/h2-4,12,16,25-27H,5-6H2,1H3,(H,23,28)/t12?,16-,18+/m0/s1
InChIKey WOPAKCNTCVPRID-IQHYPMEHSA-N
Literature Reference Author N.S.LIRA,R.C.MONTES,J.F.TAVARES,M.S.D.SILVA,E.V.L.D.CUNHA,P. F.D.ATHAYDE-FILHO
Literature Reference Citation MAR.DRUGS,9,2316(2011)
Literature Reference DOI 10.3390/md9112316
Molecular Weight 675.951 g/mol
Source File Reference UWBT6941