QVM
Summary
| Name: | (2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal |
| Formula: | C22 H30 O2 |
| Formal charge: | 0 |
| Formula weight: | 326.472 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal |
| OpenEye OEToolkits | 2.0.7 | (2~{E},4~{E},6~{E},8~{E},10~{E})-5,9-dimethyl-11-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]undeca-2,4,6,8,10-pentaenal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(=C(CC(O)C1)C)\C=C\C(\C)=C\C=C\C(=C\C=C\C=O)C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3/b7-6+,10-8+,13-12+,17-9+,18-11+/t20-/m1/s1 |
| InChIKey | InChI | 1.03 | BCNPTKKIVMTZFO-UWYNECTCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=O)C(C)(C)C[C@H](O)C1 |
| SMILES | CACTVS | 3.385 | CC1=C(C=CC(C)=CC=CC(C)=CC=CC=O)C(C)(C)C[CH](O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=O)/C)/C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=O)C)C |
