| SpectraBase Compound ID | DvUkzYbB54y |
|---|---|
| InChI | InChI=1S/C12H14N4O3/c1-15-11(18)14-9-8-7(5-12(9,15)19)16-4-2-3-6(16)10(17)13-8/h2-4,7-9,19H,5H2,1H3,(H,13,17)(H,14,18)/t7-,8-,9+,12+/m1/s1 |
| InChIKey | DJCDKGZNBXQQTF-XBWDGYHZSA-N |
| Mol Weight | 262.27 g/mol |
| Molecular Formula | C12H14N4O3 |
| Exact Mass | 262.10659 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FqE5KhzUWfJ |
|---|---|
| Name | (-)-1-DEBROMO-AGELASTATIN-A |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H14N4O3 |
| InChI | InChI=1S/C12H14N4O3/c1-15-11(18)14-9-8-7(5-12(9,15)19)16-4-2-3-6(16)10(17)13-8/h2-4,7-9,19H,5H2,1H3,(H,13,17)(H,14,18)/t7-,8-,9+,12+/m1/s1 |
| InChIKey | DJCDKGZNBXQQTF-XBWDGYHZSA-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 | 262.268 g/mol |
| Sample ID | 38938 |
| Solvent | CD3OD |