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11-DIHYDRO-AEROTHIONIN
SpectraBase Compound ID 3owhopDvh58
InChI InChI=1S/C24H26Br4N4O10/c1-39-17-9(25)3-23(19(35)15(17)27)5-11(31-41-23)21(37)29-7-13(33)14(34)8-30-22(38)12-6-24(42-32-12)4-10(26)18(40-2)16(28)20(24)36/h3-4,13-14,19-20,33-36H,5-8H2,1-2H3,(H,29,37)(H,30,38)/t13?,14?,19-,20+,23+,24-
InChIKey DFLWEHSTGDSEII-JGZACGTLSA-N
Mol Weight 850.11 g/mol
Molecular Formula C24H26Br4N4O10
Exact Mass 845.838245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FleDYHkGkjL
Name 11-DIHYDRO-AEROTHIONIN
Compound Number 49
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H26Br4N4O10
InChI InChI=1S/C24H26Br4N4O10/c1-39-17-9(25)3-23(19(35)15(17)27)5-11(31-41-23)21(37)29-7-13(33)14(34)8-30-22(38)12-6-24(42-32-12)4-10(26)18(40-2)16(28)20(24)36/h3-4,13-14,19-20,33-36H,5-8H2,1-2H3,(H,29,37)(H,30,38)/t13?,14?,19-,20+,23+,24-
InChIKey DFLWEHSTGDSEII-JGZACGTLSA-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 850.107 g/mol
Source File Reference UWBT6919