PW6
Summary
| Name: | (2E,5E,7Z,9E,11E,13E,15Z,17E,19Z,21E,23E)-24-methyl-25-oxohexacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenoic acid |
| Synonyms: | Dehydro laetiporic acid |
| Formula: | C27 H30 O3 |
| Formal charge: | 0 |
| Formula weight: | 402.525 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{E},7~{Z},9~{E},11~{E},13~{E},15~{Z},17~{E},19~{Z},21~{E},23~{E})-24-methyl-25-oxidanylidene-hexacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H30O3/c1-25(26(2)28)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-27(29)30/h3-19,21-24H,20H2,1-2H3,(H,29,30)/b5-3+,6-4+,9-7-,10-8+,13-11+,14-12-,17-15-,18-16+,21-19+,24-22+,25-23+ |
| InChIKey | InChI | 1.06 | ZUWHINCAQDXMJU-JXLQPSFDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)C(/C)=C/C=C/C=C\C=C\C=C/C=C/C=C/C=C/C=C\C=C\C/C=C/C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)C(C)=CC=CC=CC=CC=CC=CC=CC=CC=CC=CCC=CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=C\C=C\C=C/C=C/C=C\C=C\C=C\C=C\C=C/C=C/CC=CC(=O)O)/C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CC=CC=CC=CC=CC=CC=CC=CC=CC=CCC=CC(=O)O)C(=O)C |
