| SpectraBase Compound ID | 5JN1NPreOEB |
|---|---|
| InChI | InChI=1S/C36H50N2O7/c1-24-14-13-15-27-20-29(22-30(39)21-27)38-33(40)23-31(44-4)18-11-6-5-7-12-19-32(25(2)34(24)41)45-36(43)26(3)37-35(42)28-16-9-8-10-17-28/h5-7,11-12,14,18,20-22,25-26,28,31-32,34,39,41H,8-10,13,15-17,19,23H2,1-4H3,(H,37,42)(H,38,40)/b6-5+,12-7+,18-11+,24-14- |
| InChIKey | WACCDLYIHBADOZ-QHWRVEFPSA-N |
| Mol Weight | 622.8 g/mol |
| Molecular Formula | C36H50N2O7 |
| Exact Mass | 622.361802 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2lUNupbIGCG |
|---|---|
| Name | TRIENOMYCIN_A |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H50N2O7 |
| InChI | InChI=1S/C36H50N2O7/c1-24-14-13-15-27-20-29(22-30(39)21-27)38-33(40)23-31(44-4)18-11-6-5-7-12-19-32(25(2)34(24)41)45-36(43)26(3)37-35(42)28-16-9-8-10-17-28/h5-7,11-12,14,18,20-22,25-26,28,31-32,34,39,41H,8-10,13,15-17,19,23H2,1-4H3,(H,37,42)(H,38,40)/b6-5+,12-7+,18-11+,24-14- |
| InChIKey | WACCDLYIHBADOZ-QHWRVEFPSA-N |
| Literature Reference Author | T.KAWAMURA,E.TASHIRO,K.SHINDO,M.IMOTO |
| Literature Reference Citation | J.ANTIBIOTICS,61,312(2008) |
| Literature Reference DOI | 10.1038/ja.2008.44 |
| Molecular Weight | 622.802 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMB173 |