AERUGINOSIN_KT_650;MAJOR_CIS_ROTAMER
Compound with spectra: 2 NMR
| SpectraBase Compound ID | Bt9hR0ulxjX |
|---|---|
| InChI | InChI=1S/C34H46N6O7/c1-21(41)47-30(18-23-9-12-25(42)13-10-23)32(45)39-27(17-22-7-3-2-4-8-22)33(46)40-28-20-26(43)14-11-24(28)19-29(40)31(44)37-15-5-6-16-38-34(35)36/h2-4,7-10,12-13,24,26-30,42-43H,5-6,11,14-20H2,1H3,(H,37,44)(H,39,45)(H4,35,36,38)/t24-,26-,27-,28-,29-,30-/m1/s1 |
| InChIKey | HUKJPWVQXNHUJQ-HMDGCWDXSA-N |
| Mol Weight | 650.8 g/mol |
| Molecular Formula | C34H46N6O7 |
| Exact Mass | 650.342798 g/mol |
| Enantiomer InChIKey | HUKJPWVQXNHUJQ-POPCVQDUSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | HET |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
AERUGINOSIN_DA642A;L-ORTHO-CL-HPLA-L-PHE-L-CHOI-AGMATINE;MAJOR_ROTAMER;TRANS
AERUGINOSIN_DA642B;D-ORTHO-CL-HPLA-L-PHE-L-CHOI-AGMATINE;MAJOR_ROTAMER;TRANS
PUFNADSPAVNISU-ZJIIMNLKSA-N
HO-D-HPLA-D-TYR-L-CHOI-L-ARGOL
HO-D-HPLA-D-PHE(4-F)-L-CHOI-L-ARGOL
1H-INDOLE-2-CARBOXAMIDE, N-[4-[(AMINOIMINOETHYL)AMINO]BUTYL]OCTAHYDRO-1-[2-[[2-HYDROXY-3-(3-CHLORO-4-HYDROXYPHENYL)-1-OXOPROPYL]AMINO]-3-METHYL-1-OXOPENTYL]-6-(SULFOOXY)-
AERUGINOSIN_GE730;D-M,M-DI-BR-P-HPLA-D-ALLO-ILE-L-CHOI-AGMATIME
AERUGINOSIN_DA688;D-ORTHO-CL-HPLA-D-LEU-L-CHOI-6-SULFATE-AGMATINE;MAJOR_ROTAMER;TRANS
AERUGINOSIN_GE686;D-M-BR-M'-CL-P-HPLA-D-ALLO-ILE-L-CHOI-AGMATIME
| Title | Journal or Book | Year |
|---|---|---|
| Metabolites of Microcystis aeruginosa Bloom Material from Lake Kinneret, Israel | Journal of Natural Products | 2012 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.