| SpectraBase Compound ID | G0nYA1f8Pvy |
|---|---|
| InChI | InChI=1S/C34H50N6O14S/c41-24-9-7-22(19-26(24)43)31(47)39-17-5-13-35-11-1-3-15-37-27(44)20-34(51,33(49)50)21-28(45)38-16-4-2-12-36-14-6-18-40-32(48)23-8-10-25(42)29(46)30(23)55(52,53)54/h7-10,19,35-36,41-43,46,51H,1-6,11-18,20-21H2,(H,37,44)(H,38,45)(H,39,47)(H,40,48)(H,49,50)(H,52,53,54) |
| InChIKey | QBIVVKGXMPVSSY-UHFFFAOYSA-N |
| Mol Weight | 798.9 g/mol |
| Molecular Formula | C34H50N6O14S |
| Exact Mass | 798.310571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1mncPHqtvhY |
|---|---|
| Name | PETROBACTIN-SULFONATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H50N6O14S |
| InChI | InChI=1S/C34H50N6O14S/c41-24-9-7-22(19-26(24)43)31(47)39-17-5-13-35-11-1-3-15-37-27(44)20-34(51,33(49)50)21-28(45)38-16-4-2-12-36-14-6-18-40-32(48)23-8-10-25(42)29(46)30(23)55(52,53)54/h7-10,19,35-36,41-43,46,51H,1-6,11-18,20-21H2,(H,37,44)(H,38,45)(H,39,47)(H,40,48)(H,49,50)(H,52,53,54) |
| InChIKey | QBIVVKGXMPVSSY-UHFFFAOYSA-N |
| Literature Reference Author | S.J.H.HICKFORD,F.C.KUEPPER,G.ZHANG,C.J.CARRANO,J.W.BLUNT,A.B UTLER |
| Literature Reference Citation | J.NAT.PROD.,67,1897(2004) |
| Literature Reference DOI | 10.1021/np049823i |
| Molecular Weight | 798.863 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ6757 |