| SpectraBase Compound ID | CKcgt6E3dIl |
|---|---|
| InChI | InChI=1S/C22H24Br3ClN10O4/c23-6-1-10(29-3-6)15(37)30-4-7-8(5-31-16(38)11-2-9(24)14(25)32-11)13(26)21-12(7)22(40)17(33-19(27)35-22)36(21)20(28)34-18(21)39/h1-3,7-8,12-13,17-18,29,32,39-40H,4-5H2,(H2,28,34)(H,30,37)(H,31,38)(H3,27,33,35)/p+1/t7-,8-,12+,13+,17+,18+,21+,22+/m1/s1 |
| InChIKey | GPJMZELWJLHNNK-NBXKCEPPSA-O |
| Mol Weight | 768.67 g/mol |
| Molecular Formula | C22H25Br3ClN10O4 |
| Exact Mass | 764.929891 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ATF84m6gLev |
|---|---|
| Name | NAGELAMIDE_O |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H25Br3ClN10O4 |
| InChI | InChI=1S/C22H24Br3ClN10O4/c23-6-1-10(29-3-6)15(37)30-4-7-8(5-31-16(38)11-2-9(24)14(25)32-11)13(26)21-12(7)22(40)17(33-19(27)35-22)36(21)20(28)34-18(21)39/h1-3,7-8,12-13,17-18,29,32,39-40H,4-5H2,(H2,28,34)(H,30,37)(H,31,38)(H3,27,33,35)/p+1/t7-,8-,12+,13+,17+,18+,21+,22+/m1/s1 |
| InChIKey | GPJMZELWJLHNNK-NBXKCEPPSA-O |
| 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 | 768.670 g/mol |
| Sample ID | 32327 |
| Solvent | DMSO-D6 |