John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HQOOlW6Ta84 SpectraBase Spectrum ID=27mRK6wLEPQ

(accessed ).
11-HYDROXY-AEROTHIONIN
SpectraBase Compound ID HQOOlW6Ta84
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-/m1/s1
InChIKey AROOVIRXACQMLA-QSUQWVFRSA-N
Mol Weight 834.11 g/mol
Molecular Formula C24H26Br4N4O9
Exact Mass 829.843323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27mRK6wLEPQ
Name 11-HYDROXY-AEROTHIONIN
Compound Number 50
Copyright Copyright © 2016-2021 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-/m1/s1
InChIKey AROOVIRXACQMLA-QSUQWVFRSA-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 834.108 g/mol
Source File Reference UWBT6920
SpectraBase Batch ID 3TSdWUkhiR8