FUW
Summary
| Name: | (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-hept-3-ynyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol |
| Formula: | C26 H34 O3 |
| Formal charge: | 0 |
| Formula weight: | 394.546 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-hept-3-ynyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H34O3/c1-5-21(13-14-22-17-24(27)18-25(28)19(22)2)23-12-9-11-20(16-23)10-7-6-8-15-26(3,4)29/h9,11-14,16,24-25,27-29H,2,5,7,10,15,17-18H2,1,3-4H3/b21-13+,22-14-/t24-,25-/m0/s1 |
| InChIKey | InChI | 1.06 | OLHIEYMTIUZOBO-FNSLBOAPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC\C(=C/C=C1/C[C@@H](O)C[C@H](O)C1=C)c2cccc(CCC#CCC(C)(C)O)c2 |
| SMILES | CACTVS | 3.385 | CCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCC#CCC(C)(C)O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCC#CCC(C)(C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=CC=C1CC(CC(C1=C)O)O)c2cccc(c2)CCC#CCC(C)(C)O |
