| SpectraBase Compound ID | C8CaB73FVBI |
|---|---|
| InChI | InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3/b19-16+,20-17+,21-18+,28-25-,29-26-,30-27- |
| InChIKey | HBOQXIRUPVQLKX-DMLPYQNQSA-N |
| Mol Weight | 879.4 g/mol |
| Molecular Formula | C57H98O6 |
| Exact Mass | 878.736341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HTylcRzbcfU |
|---|---|
| Name | TRILINOLEIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H98O6 |
| InChI | InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3/b19-16+,20-17+,21-18+,28-25-,29-26-,30-27- |
| InChIKey | HBOQXIRUPVQLKX-DMLPYQNQSA-N |
| Literature Reference Author | Y.C.RAGASA,B.O.TORRES,C.C.SHEN,R.G.M.MEJIA,J.R.FERRER,D.S.JA CINTO |
| Literature Reference Citation | PHARMACOG.J.,4,29(2012) |
| Literature Reference DOI | 10.5530/pj.2012.32.6 |
| Molecular Weight | 879.402 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU82076 |