| SpectraBase Compound ID | FYhuavGQFVj |
|---|---|
| InChI | InChI=1S/C27H33N7O10/c28-27(33-24(41)15-6-2-10-19(36)22(15)39)29-11-3-7-16(32-23(40)14-5-1-9-18(35)21(14)38)25(42)30-13-20(37)31-17-8-4-12-34(44)26(17)43/h1-2,5-6,9-10,16-17,35-36,38-39,44H,3-4,7-8,11-13H2,(H,30,42)(H,31,37)(H,32,40)(H3,28,29,33,41)/t16-,17+/m1/s1 |
| InChIKey | SDUJQEWEVFATFH-SJORKVTESA-N |
| Mol Weight | 615.6 g/mol |
| Molecular Formula | C27H33N7O10 |
| Exact Mass | 615.22889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5uJdEOH1oUv |
|---|---|
| Name | HETEROBACTIN_A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H32N7O10 |
| InChI | InChI=1S/C27H33N7O10/c28-27(33-24(41)15-6-2-10-19(36)22(15)39)29-11-3-7-16(32-23(40)14-5-1-9-18(35)21(14)38)25(42)30-13-20(37)31-17-8-4-12-34(44)26(17)43/h1-2,5-6,9-10,16-17,35-36,38-39,44H,3-4,7-8,11-13H2,(H,30,42)(H,31,37)(H,32,40)(H3,28,29,33,41)/t16-,17+/m1/s1 |
| InChIKey | SDUJQEWEVFATFH-SJORKVTESA-N |
| Literature Reference Author | M.BOSELLO,M.ZEYADI,F.I.KRAAS,U.LINNE,X.XIE,M.A.MARAHIEL |
| Literature Reference Citation | J.NAT.PROD.,76,2282(2013) |
| Literature Reference DOI | 10.1021/np4006579 |
| Molecular Weight | 614.592 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ43575 |