| SpectraBase Compound ID | 9aQqdwmnMCk |
|---|---|
| InChI | InChI=1S/C29H44BrClN6O6/c1-3-15(2)24(36-27(42)23(39)12-16-10-19(30)25(40)20(31)11-16)28(43)37-21-14-18(38)7-6-17(21)13-22(37)26(41)34-8-4-5-9-35-29(32)33/h10-11,15,17-18,21-24,38-40H,3-9,12-14H2,1-2H3,(H,34,41)(H,36,42)(H4,32,33,35)/t15-,17-,18+,21-,22-,23+,24+/m0/s1 |
| InChIKey | NONLYEHCSKGAFP-GPSFYHMWSA-N |
| Mol Weight | 688.1 g/mol |
| Molecular Formula | C29H44BrClN6O6 |
| Exact Mass | 686.219424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 46JWxXFA3oM |
|---|---|
| Name | AERUGINOSIN_GE686;D-M-BR-M'-CL-P-HPLA-D-ALLO-ILE-L-CHOI-AGMATIME |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44BrClN6O6 |
| InChI | InChI=1S/C29H44BrClN6O6/c1-3-15(2)24(36-27(42)23(39)12-16-10-19(30)25(40)20(31)11-16)28(43)37-21-14-18(38)7-6-17(21)13-22(37)26(41)34-8-4-5-9-35-29(32)33/h10-11,15,17-18,21-24,38-40H,3-9,12-14H2,1-2H3,(H,34,41)(H,36,42)(H4,32,33,35)/t15-,17-,18+,21-,22-,23+,24+/m0/s1 |
| InChIKey | NONLYEHCSKGAFP-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 | 688.062 g/mol |
| Sample ID | 41735 |
| Solvent | DMSO-D6 |