| SpectraBase Compound ID | Fzl2NEjDh0W |
|---|---|
| InChI | InChI=1S/C24H24Br4N4O9/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/h5-6,19-20,34-35H,3-4,7-9H2,1-2H3,(H,29,36)(H,30,37)/t19-,20+,23+,24-/m1/s1 |
| InChIKey | LPBNXOLVSVGFDX-CDPNLFKUSA-N |
| Mol Weight | 832.09 g/mol |
| Molecular Formula | C24H24Br4N4O9 |
| Exact Mass | 827.82768 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KYPdA3LiQfp |
|---|---|
| Name | 11-OXO-AEROTHIONIN |
| Compound Number | 52 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H24Br4N4O9 |
| InChI | InChI=1S/C24H24Br4N4O9/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/h5-6,19-20,34-35H,3-4,7-9H2,1-2H3,(H,29,36)(H,30,37)/t19-,20+,23+,24-/m1/s1 |
| InChIKey | LPBNXOLVSVGFDX-CDPNLFKUSA-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 | 832.092 g/mol |
| Source File Reference | UWBT6922 |