YGK
Summary
| Name: | Monoepoxidized farnesyl acetate |
| Synonyms: | [(2~{E},6~{E})-9-[(2~{R})-3,3-dimethyloxiran-2-yl]-3,7-dimethyl-nona-2,6-dienyl] ethanoate |
| Formula: | C17 H28 O3 |
| Formal charge: | 0 |
| Formula weight: | 280.402 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{E},6~{E})-9-[(2~{R})-3,3-dimethyloxiran-2-yl]-3,7-dimethyl-nona-2,6-dienyl] ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H28O3/c1-13(9-10-16-17(4,5)20-16)7-6-8-14(2)11-12-19-15(3)18/h7,11,16H,6,8-10,12H2,1-5H3/b13-7+,14-11+/t16-/m1/s1 |
| InChIKey | InChI | 1.06 | GJPPMLNCWMTZJP-YJLFAIMGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)OC\C=C(/C)CC/C=C(C)/CC[C@H]1OC1(C)C |
| SMILES | CACTVS | 3.385 | CC(=O)OCC=C(C)CCC=C(C)CC[CH]1OC1(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=C\CC/C(=C/COC(=O)C)/C)/CC[C@@H]1C(O1)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCCC(=CCOC(=O)C)C)CCC1C(O1)(C)C |
