| SpectraBase Compound ID | LwF2aU52UND |
|---|---|
| InChI | InChI=1S/C22H21Br3N10O3/c23-10-7-13(30-9-10)17(36)28-5-1-3-12-15(33-20(26)32-12)22(19(38)34-21(27)35-22)4-2-6-29-18(37)14-8-11(24)16(25)31-14/h1-4,7-9,30-31H,5-6H2,(H,28,36)(H,29,37)(H3,26,32,33)(H3,27,34,35,38)/b3-1+,4-2+ |
| InChIKey | KVODITVXAKREHO-ZPUQHVIOSA-N |
| Mol Weight | 713.19 g/mol |
| Molecular Formula | C22H21Br3N10O3 |
| Exact Mass | 709.934824 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JOLyG1XCzDg |
|---|---|
| Name | NAGELAMIDE_P |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H21Br3N10O3 |
| InChI | InChI=1S/C22H21Br3N10O3/c23-10-7-13(30-9-10)17(36)28-5-1-3-12-15(33-20(26)32-12)22(19(38)34-21(27)35-22)4-2-6-29-18(37)14-8-11(24)16(25)31-14/h1-4,7-9,30-31H,5-6H2,(H,28,36)(H,29,37)(H3,26,32,33)(H3,27,34,35,38)/b3-1+,4-2+ |
| InChIKey | KVODITVXAKREHO-ZPUQHVIOSA-N |
| Literature Reference Author | T.YASUDA,A.ARAKI,T.KUBOTA,J.ITO,Y.MIKAMI,J.FROMONT,J.KOBAYAS HI |
| Literature Reference Citation | J.NAT.PROD.,72,488(2009) |
| Literature Reference DOI | 10.1021/np800645q |
| Molecular Weight | 713.186 g/mol |
| Sample ID | 32328 |
| Solvent | DMSO-D6 |