| SpectraBase Compound ID | HyQHQLtaVa9 |
|---|---|
| InChI | InChI=1S/C29H44Br2N6O9S/c1-3-15(2)24(36-27(41)23(38)12-16-10-19(30)25(39)20(31)11-16)28(42)37-21-14-18(46-47(43,44)45)7-6-17(21)13-22(37)26(40)34-8-4-5-9-35-29(32)33/h10-11,15,17-18,21-24,38-39H,3-9,12-14H2,1-2H3,(H,34,40)(H,36,41)(H4,32,33,35)(H,43,44,45)/t15-,17-,18+,21-,22-,23+,24+/m0/s1 |
| InChIKey | CZGJMJRVWATCJK-GPSFYHMWSA-N |
| Mol Weight | 812.6 g/mol |
| Molecular Formula | C29H44Br2N6O9S |
| Exact Mass | 810.125724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JLjLndu13fi |
|---|---|
| Name | AERUGINOSIN_GE810;D-M,M-DI-BR-P-HPLA-D-ALLO-ILE-L-CHOI-6-SULFATE-AGMATIME |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44Br2N6O9S |
| InChI | InChI=1S/C29H44Br2N6O9S/c1-3-15(2)24(36-27(41)23(38)12-16-10-19(30)25(39)20(31)11-16)28(42)37-21-14-18(46-47(43,44)45)7-6-17(21)13-22(37)26(40)34-8-4-5-9-35-29(32)33/h10-11,15,17-18,21-24,38-39H,3-9,12-14H2,1-2H3,(H,34,40)(H,36,41)(H4,32,33,35)(H,43,44,45)/t15-,17-,18+,21-,22-,23+,24+/m0/s1 |
| InChIKey | CZGJMJRVWATCJK-GPSFYHMWSA-N |
| Literature Reference Author | S.ELKOBI-PEER,R.FAIGENBAUM,S.CARMELI |
| Literature Reference Citation | J.NAT.PROD.,75,2144(2012) |
| Literature Reference DOI | 10.1021/np3005612 |
| Molecular Weight | 812.571 g/mol |
| Sample ID | 41738 |
| Solvent | DMSO-D6 |