| SpectraBase Compound ID | AQhWIjFCS0A |
|---|---|
| InChI | InChI=1S/C34H55N7O13/c1-3-4-5-6-7-8-17-28(22(2)29(45)37-24(30(46)39-50)14-12-19-41(52)34(35)36)54-33(49)25(15-11-18-40(51)21-42)38-31(47)27(44)20-53-32(48)23-13-9-10-16-26(23)43/h9-10,13,16,21-22,24-25,27-28,43-44,50-52H,3-8,11-12,14-15,17-20H2,1-2H3,(H3,35,36)(H,37,45)(H,38,47)(H,39,46) |
| InChIKey | ICFNGWYSCWYFGU-UHFFFAOYSA-N |
| Mol Weight | 769.8 g/mol |
| Molecular Formula | C34H55N7O13 |
| Exact Mass | 769.385785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DZrpxjiHrLb |
|---|---|
| Name | ASTEROBACTIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H52N7O13 |
| InChI | InChI=1S/C34H55N7O13/c1-3-4-5-6-7-8-17-28(22(2)29(45)37-24(30(46)39-50)14-12-19-41(52)34(35)36)54-33(49)25(15-11-18-40(51)21-42)38-31(47)27(44)20-53-32(48)23-13-9-10-16-26(23)43/h9-10,13,16,21-22,24-25,27-28,43-44,50-52H,3-8,11-12,14-15,17-20H2,1-2H3,(H3,35,36)(H,37,45)(H,38,47)(H,39,46) |
| InChIKey | ICFNGWYSCWYFGU-UHFFFAOYSA-N |
| Literature Reference Author | A.NEMOTO,Y.HOSHINO,K.YAZAWA,A.ANDO,Y.MIKAMI,H.KOMAKI,Y.TANAK A,U.GRAEFE |
| Literature Reference Citation | J.ANTIBIOTICS,55,593(2002) |
| Literature Reference DOI | 10.7164/antibiotics.55.593 |
| Molecular Weight | 766.826 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI4310 |