![COMETIN-A;(5R,3'E,5'E)-5-[9'-[5''-(FURAN-3'''-YL-METHYL)-FURAN-3''-YL]-2',6'-DIMETHYLNONA-3',5'-DIENYL]-4-HYDROXY-3-METHYLFURAN-2(5H)-ONE](/api/spectrum/IQb6waU11nQ/structure.png?h=300&w=458 "COMETIN-A;(5R,3'E,5'E)-5-[9'-[5''-(FURAN-3'''-YL-METHYL)-FURAN-3''-YL]-2',6'-DIMETHYLNONA-3',5'-DIENYL]-4-HYDROXY-3-METHYLFURAN-2(5H)-ONE")
| SpectraBase Compound ID | JfR9lKb4UqI |
|---|---|
| InChI | InChI=1S/C25H30O5/c1-17(6-4-8-18(2)12-23-24(26)19(3)25(27)30-23)7-5-9-20-13-22(29-16-20)14-21-10-11-28-15-21/h4,6,8,10-11,13,15-16,18,23,26H,5,7,9,12,14H2,1-3H3/b8-4+,17-6+/t18?,23-/m0/s1 |
| InChIKey | PTQLMVKRWRINAA-NQISXRFJSA-N |
| Mol Weight | 410.51 g/mol |
| Molecular Formula | C25H30O5 |
| Exact Mass | 410.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IQb6waU11nQ |
|---|---|
| Name | COMETIN-A;(5R,3'E,5'E)-5-[9'-[5''-(FURAN-3'''-YL-METHYL)-FURAN-3''-YL]-2',6'-DIMETHYLNONA-3',5'-DIENYL]-4-HYDROXY-3-METHYLFURAN-2(5H)-ONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H30O5 |
| InChI | InChI=1S/C25H30O5/c1-17(6-4-8-18(2)12-23-24(26)19(3)25(27)30-23)7-5-9-20-13-22(29-16-20)14-21-10-11-28-15-21/h4,6,8,10-11,13,15-16,18,23,26H,5,7,9,12,14H2,1-3H3/b8-4+,17-6+/t18?,23-/m0/s1 |
| InChIKey | PTQLMVKRWRINAA-NQISXRFJSA-N |
| Literature Reference Author | S.URBAN,R.J.CAPON |
| Literature Reference Citation | AUSTR.J.CHEM.,45,1255(1992) |
| Literature Reference DOI | 10.1071/ch9921255 |
| Molecular Weight | 410.510 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP6263 |