ZE0
Summary
| Name: | (3'E)-3',4'-didehydro-1,2-dihydro-psi,psi-caroten-1-ol |
| Formula: | C40 H56 O |
| Formal charge: | 0 |
| Formula weight: | 552.872 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3'E)-3',4'-didehydro-1,2-dihydro-psi,psi-caroten-1-ol |
| OpenEye OEToolkits | 1.7.6 | (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaen-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(C)(C)CCCC(=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(\C)C)C)C)C)C)C)\C |
| InChI | InChI | 1.03 | InChI=1S/C40H56O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-17,19-30,41H,18,31-32H2,1-10H3/b12-11+,22-13+,23-14+,24-15+,28-16+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+ |
| InChIKey | InChI | 1.03 | SBVLKWMQRFTYPE-WRNKADOOSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(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=C(C)/C=C/C=C(C)/CCCC(C)(C)O |
| SMILES | CACTVS | 3.370 | CC(C)=CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=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/C=C(\C)/CCCC(C)(C)O)/C)/C)/C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)C)C)C)C |
