| 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
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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 |