| SpectraBase Compound ID | ARVR4AJXkh |
|---|---|
| InChI | InChI=1S/C34H50N6O11/c41-25-11-5-9-23(29(25)45)31(47)39-19-7-15-35-13-1-3-17-37-27(43)21-34(51,33(49)50)22-28(44)38-18-4-2-14-36-16-8-20-40-32(48)24-10-6-12-26(42)30(24)46/h5-6,9-12,35-36,41-42,45-46,51H,1-4,7-8,13-22H2,(H,37,43)(H,38,44)(H,39,47)(H,40,48)(H,49,50) |
| InChIKey | GLVWQIVKGPNDGJ-UHFFFAOYSA-N |
| Mol Weight | 718.8 g/mol |
| Molecular Formula | C34H50N6O11 |
| Exact Mass | 718.353756 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9jof4TaQq3o |
|---|---|
| Name | PETROBACTIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H50N6O11 |
| InChI | InChI=1S/C34H50N6O11/c41-25-11-5-9-23(29(25)45)31(47)39-19-7-15-35-13-1-3-17-37-27(43)21-34(51,33(49)50)22-28(44)38-18-4-2-14-36-16-8-20-40-32(48)24-10-6-12-26(42)30(24)46/h5-6,9-12,35-36,41-42,45-46,51H,1-4,7-8,13-22H2,(H,37,43)(H,38,44)(H,39,47)(H,40,48)(H,49,50) |
| InChIKey | GLVWQIVKGPNDGJ-UHFFFAOYSA-N |
| Literature Reference Author | K.BARBEAU,G.ZHANG,D.H.LIVE,A.BUTLER |
| Literature Reference Citation | J.AM.CHEM.SOC.,124,378(2002) |
| Literature Reference DOI | 10.1021/ja0119088 |
| Molecular Weight | 718.805 g/mol |
| Sample ID | 47678 |
| Solvent | DMSO-D6 |