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AEROTHIONINE
SpectraBase Compound ID EyI0MzDeKqI
InChI InChI=1S/C24H26Br4N4O8/c1-37-17-11(25)7-23(19(33)15(17)27)9-13(31-39-23)21(35)29-5-3-4-6-30-22(36)14-10-24(40-32-14)8-12(26)18(38-2)16(28)20(24)34/h7-8,19-20,33-34H,3-6,9-10H2,1-2H3,(H,29,35)(H,30,36)/t19-,20+,23+,24-
InChIKey BJWQSQOWGBUSFC-XZOTUCIWSA-N
Mol Weight 818.11 g/mol
Molecular Formula C24H26Br4N4O8
Exact Mass 813.848416 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6kvXtbMfHHH
Name (+)-AEROTHIONIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H26Br4N4O8
InChI InChI=1S/C24H26Br4N4O8/c1-37-17-11(25)7-23(19(33)15(17)27)9-13(31-39-23)21(35)29-5-3-4-6-30-22(36)14-10-24(40-32-14)8-12(26)18(38-2)16(28)20(24)34/h7-8,19-20,33-34H,3-6,9-10H2,1-2H3,(H,29,35)(H,30,36)/t19-,20+,23+,24-
InChIKey BJWQSQOWGBUSFC-XZOTUCIWSA-N
Literature Reference Author N.SHAO,G.YAO,L.C.CHANG
Literature Reference Citation J.NAT.PROD.,70,869(2007)
Literature Reference DOI 10.1021/np060601p
Molecular Weight 818.108 g/mol
Sample ID 30407
Solvent ACETONE-D6