| SpectraBase Compound ID | ElhMizknwbp |
|---|---|
| InChI | InChI=1S/C25H30O6/c1-3-19(2)16-17-22(27)21(26)15-13-11-9-7-5-4-6-8-10-12-14-20-18-23(28)24(31-20)25(29)30/h4-17,19-20,23-24,28H,3,18H2,1-2H3,(H,29,30)/b6-4+,7-5+,10-8+,11-9+,14-12+,15-13+,17-16+ |
| InChIKey | UWFRQOWLUPERFN-BXNBMOSESA-N |
| Mol Weight | 426.51 g/mol |
| Molecular Formula | C25H30O6 |
| Exact Mass | 426.204239 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AkypycQBIGQ |
|---|---|
| Name | Cochliobolic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H30O6 |
| InChI | InChI=1S/C25H30O6/c1-3-19(2)16-17-22(27)21(26)15-13-11-9-7-5-4-6-8-10-12-14-20-18-23(28)24(31-20)25(29)30/h4-17,19-20,23-24,28H,3,18H2,1-2H3,(H,29,30)/b6-4+,7-5+,10-8+,11-9+,14-12+,15-13+,17-16+ |
| InChIKey | UWFRQOWLUPERFN-BXNBMOSESA-N |
| Molecular Weight | 426.509 g/mol |
| SMILES | OC1CC(OC1C(=O)O)\C=C\C=C\C=C\C=C\C=C\C=C\C(C(\C=C\C(CC)C)=O)=O |
| SPLASH | splash10-002f-9100000000-77b3ddacde97fa089416 |
| Source of Spectrum | G4-60-8-1 |
| Synonyms | 3-Hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaenyl]-2-oxolanecarboxylic acid 3-Hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaenyl]oxolane-2-carboxylic acid 3-Hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-dioxo-nonadeca-1,3,5,7,9,11,15-heptaenyl]tetrahydrofuran-2-carboxylic acid 5-[(1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-bis(oxidanylidene)nonadeca-1,3,5,7,9,11,15-heptaenyl]-3-oxidanyl-oxolane-2-carboxylic acid |
| Wiley ID | 1606608 |