| SpectraBase Compound ID | 5jAD0un5s9W |
|---|---|
| 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+/m0/s1 |
| InChIKey | KDGVNHDMAKJDLE-QWJJDIOSSA-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 | 307lUwo9cKb |
|---|---|
| Name | 12S-HYDROXY-11-OXO-AEROTHIONINE |
| 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+/m0/s1 |
| InChIKey | KDGVNHDMAKJDLE-QWJJDIOSSA-N |
| Literature Reference Author | P.CIMINIELLO,V.CONSTANTINO,E.FATTORUSSO,S.MAGNO,A.MANGONI,M. PANSINI |
| Literature Reference Citation | J.NAT.PROD.,57,705(1994) |
| Literature Reference DOI | 10.1021/np50108a004 |
| Molecular Weight | 848.091 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWFP3 |