| SpectraBase Compound ID | 8OZBNAgskqR |
|---|---|
| InChI | InChI=1S/C28H28Br4N4O11/c1-12(37)44-23-19(31)21(42-3)15(29)7-27(23)9-17(35-46-27)25(40)33-6-5-14(39)11-34-26(41)18-10-28(47-36-18)8-16(30)22(43-4)20(32)24(28)45-13(2)38/h7-8,23-24H,5-6,9-11H2,1-4H3,(H,33,40)(H,34,41)/t23-,24-,27+,28+/m0/s1 |
| InChIKey | CZFWKEKJJFTLGH-KBJUPQRZSA-N |
| Mol Weight | 916.16 g/mol |
| Molecular Formula | C28H28Br4N4O11 |
| Exact Mass | 911.84881 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4qerGhGFW9K |
|---|---|
| Name | 11-OXO-AEROTHIONIN-DIACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H28Br4N4O11 |
| InChI | InChI=1S/C28H28Br4N4O11/c1-12(37)44-23-19(31)21(42-3)15(29)7-27(23)9-17(35-46-27)25(40)33-6-5-14(39)11-34-26(41)18-10-28(47-36-18)8-16(30)22(43-4)20(32)24(28)45-13(2)38/h7-8,23-24H,5-6,9-11H2,1-4H3,(H,33,40)(H,34,41)/t23-,24-,27+,28+/m0/s1 |
| InChIKey | CZFWKEKJJFTLGH-KBJUPQRZSA-N |
| Literature Reference Author | A.L.ACOSTA,A.D.RODRIGUEZ |
| Literature Reference Citation | J.NAT.PROD.,55,1007(1992) |
| Literature Reference DOI | 10.1021/np50085a031 |
| Molecular Weight | 916.167 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4269 |