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11-HYDROXY-AEROTHIONIN
SpectraBase Compound ID Ek7CDlKhV0L
InChI InChI=1S/C24H26Br4N4O9/c1-38-17-11(25)5-23(19(34)15(17)27)7-13(31-40-23)21(36)29-4-3-10(33)9-30-22(37)14-8-24(41-32-14)6-12(26)18(39-2)16(28)20(24)35/h5-6,10,19-20,33-35H,3-4,7-9H2,1-2H3,(H,29,36)(H,30,37)/t10?,19-,20-,23+,24+/m0/s1
InChIKey AROOVIRXACQMLA-PAJOYRTFSA-N
Mol Weight 834.11 g/mol
Molecular Formula C24H26Br4N4O9
Exact Mass 829.84333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1HStzc79YpE
Name 11-HYDROXY-AEROTHIONIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H26Br4N4O9
InChI InChI=1S/C24H26Br4N4O9/c1-38-17-11(25)5-23(19(34)15(17)27)7-13(31-40-23)21(36)29-4-3-10(33)9-30-22(37)14-8-24(41-32-14)6-12(26)18(39-2)16(28)20(24)35/h5-6,10,19-20,33-35H,3-4,7-9H2,1-2H3,(H,29,36)(H,30,37)/t10?,19-,20-,23+,24+/m0/s1
InChIKey AROOVIRXACQMLA-PAJOYRTFSA-N
Literature Reference Author A.L.ACOSTA,A.D.RODRIGUEZ
Literature Reference Citation J.NAT.PROD.,55,1007(1992)
Literature Reference DOI 10.1021/np50085a031
Molecular Weight 834.108 g/mol
Solvent CDCl3
Source File Reference UWCS4267