| SpectraBase Compound ID | EU0DywCnhGj |
|---|---|
| InChI | InChI=1S/C30H48N6O7/c1-17(2)12-23(35-28(42)26(40)13-18-5-8-21(38)9-6-18)29(43)36-24-15-22(39)10-7-19(24)14-25(36)27(41)34-20(16-37)4-3-11-33-30(31)32/h5-6,8-9,17,19-20,22-26,37-40H,3-4,7,10-16H2,1-2H3,(H,34,41)(H,35,42)(H4,31,32,33)/t19-,20-,22+,23-,24-,25-,26+/m0/s1 |
| InChIKey | ZRJNSRDWYFDFAT-OUZOMVJXSA-N |
| Mol Weight | 604.7 g/mol |
| Molecular Formula | C30H48N6O7 |
| Exact Mass | 604.358448 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | xoqgy7LbmS |
|---|---|
| Name | HO-D-HPLA-D-LEU-L-CHOI-L-ARGOL;AERUGINOSIN-298-A |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48N6O7 |
| InChI | InChI=1S/C30H48N6O7/c1-17(2)12-23(35-28(42)26(40)13-18-5-8-21(38)9-6-18)29(43)36-24-15-22(39)10-7-19(24)14-25(36)27(41)34-20(16-37)4-3-11-33-30(31)32/h5-6,8-9,17,19-20,22-26,37-40H,3-4,7,10-16H2,1-2H3,(H,34,41)(H,35,42)(H4,31,32,33)/t19-,20-,22+,23-,24-,25-,26+/m0/s1 |
| InChIKey | ZRJNSRDWYFDFAT-OUZOMVJXSA-N |
| Literature Reference Author | T.OHSHIMA.V.GNANADESIKAN,T.SHIBUGUCHHI,Y.FUKUTA,T.NEMOTO,M.S HIBASAKI |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,11206(2003) |
| Literature Reference DOI | 10.1021/ja037290e |
| Molecular Weight | 604.747 g/mol |
| Sample ID | 50523 |
| Solvent | CDCl3 |