| SpectraBase Compound ID | BCDNXsvr5dQ |
|---|---|
| InChI | InChI=1S/C28H25BrN4O7/c29-17-2-3-18-16(13-32-20(18)12-17)11-21(28(40)31-6-5-14-1-4-22(34)23(35)8-14)33-27(39)19(30)7-15-9-24(36)26(38)25(37)10-15/h1-10,12-13,21,32,34-38H,11,30H2,(H,31,40)(H,33,39)/b6-5+,19-7-/t21-/m0/s1 |
| InChIKey | ILRKTUIGMMDKBH-DHPKZDIUSA-N |
| Mol Weight | 609.43 g/mol |
| Molecular Formula | C28H25BrN4O7 |
| Exact Mass | 608.090662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5dbMQcsczWE |
|---|---|
| Name | CELENAMIDE-E |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H25BrN4O7 |
| InChI | InChI=1S/C28H25BrN4O7/c29-17-2-3-18-16(13-32-20(18)12-17)11-21(28(40)31-6-5-14-1-4-22(34)23(35)8-14)33-27(39)19(30)7-15-9-24(36)26(38)25(37)10-15/h1-10,12-13,21,32,34-38H,11,30H2,(H,31,40)(H,33,39)/b6-5+,19-7-/t21-/m0/s1 |
| InChIKey | ILRKTUIGMMDKBH-DHPKZDIUSA-N |
| Literature Reference Author | J.A.PALERMO,M.F.R.BRASCO,E.CABEZAS,V.BALZARETTI,A.M.SELDES |
| Literature Reference Citation | J.NAT.PROD.,61,488(1998) |
| Literature Reference DOI | 10.1021/np9701945 |
| Molecular Weight | 609.433 g/mol |
| Solvent | ME2CO-D6:CD3OD=9:1 |
| Source File Reference | UWCP569 |