| SpectraBase Compound ID | DkTKpJt85um |
|---|---|
| InChI | InChI=1S/C24H24Br4N4O10/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/h3-4,13,19-20,33,35-36H,5-8H2,1-2H3,(H,29,37)(H,30,38)/t13-,19+,20+,23-,24-/m1/s1 |
| InChIKey | KDGVNHDMAKJDLE-XZUOZGKQSA-N |
| Mol Weight | 848.09 g/mol |
| Molecular Formula | C24H24Br4N4O10 |
| Exact Mass | 843.822595 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4143JuMi23h |
|---|---|
| Name | (12S)-HYDROXY-11-OXO-AEROTHIONINE |
| Compound Number | 37 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H24Br4N4O10 |
| InChI | InChI=1S/C24H24Br4N4O10/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/h3-4,13,19-20,33,35-36H,5-8H2,1-2H3,(H,29,37)(H,30,38)/t13-,19+,20+,23-,24-/m1/s1 |
| InChIKey | KDGVNHDMAKJDLE-XZUOZGKQSA-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 | 848.091 g/mol |
| Source File Reference | UWBT6909 |