| SpectraBase Compound ID | KCZ8Rt4amnH |
|---|---|
| InChI | InChI=1S/C12H13BrN4O3/c1-16-11(19)15-9-8-6(4-12(9,16)20)17-5(10(18)14-8)2-3-7(17)13/h2-3,6,8-9,20H,4H2,1H3,(H,14,18)(H,15,19)/t6-,8-,9+,12+/m1/s1 |
| InChIKey | MPASKXAEPUAMBS-WJOUQXRDSA-N |
| Mol Weight | 341.17 g/mol |
| Molecular Formula | C12H13BrN4O3 |
| Exact Mass | 340.017103 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9C6x0pMlQab |
|---|---|
| Name | (-)-AGELASTATIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H13BrN4O3 |
| InChI | InChI=1S/C12H13BrN4O3/c1-16-11(19)15-9-8-6(4-12(9,16)20)17-5(10(18)14-8)2-3-7(17)13/h2-3,6,8-9,20H,4H2,1H3,(H,14,18)(H,15,19)/t6-,8-,9+,12+/m1/s1 |
| InChIKey | MPASKXAEPUAMBS-WJOUQXRDSA-N |
| Literature Reference Author | M.M.DOMOSTOJ,E.IRVING,F.SCHEINMANN,K.J.HALE |
| Literature Reference Citation | ORG.LETTERS,6,2615(2004) |
| Literature Reference DOI | 10.1021/ol0490476 |
| Molecular Weight | 341.164 g/mol |
| Sample ID | 38939 |
| Solvent | CD3OD |