| SpectraBase Compound ID | He4DQlvy8rj |
|---|---|
| InChI | InChI=1S/C22H22Br4N4O9/c23-9-3-21(17(34)13(25)15(9)32)5-11(29-38-21)19(36)27-2-1-8(31)7-28-20(37)12-6-22(39-30-12)4-10(24)16(33)14(26)18(22)35/h3-4,8,13-14,17-18,31,34-35H,1-2,5-7H2,(H,27,36)(H,28,37)/t8?,13-,14-,17+,18+,21-,22-/m1/s1 |
| InChIKey | MNXYRJZDSSKRLJ-PTJACRHASA-N |
| Mol Weight | 806.05 g/mol |
| Molecular Formula | C22H22Br4N4O9 |
| Exact Mass | 801.81203 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1PWcttIm1Ae |
|---|---|
| Name | AGELOCAISSARINE-A1 |
| Compound Number | 58 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H22Br4N4O9 |
| InChI | InChI=1S/C22H22Br4N4O9/c23-9-3-21(17(34)13(25)15(9)32)5-11(29-38-21)19(36)27-2-1-8(31)7-28-20(37)12-6-22(39-30-12)4-10(24)16(33)14(26)18(22)35/h3-4,8,13-14,17-18,31,34-35H,1-2,5-7H2,(H,27,36)(H,28,37)/t8?,13-,14-,17+,18+,21-,22-/m1/s1 |
| InChIKey | MNXYRJZDSSKRLJ-PTJACRHASA-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 | 806.054 g/mol |
| Source File Reference | UWBT6928 |