QAK
Summary
| Name: | (6~{R},10~{S},14~{R},19~{R},23~{S},24~{E},27~{S},28~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol |
| Formula: | C40 H78 O |
| Formal charge: | 0 |
| Formula weight: | 575.047 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (6~{R},10~{S},14~{R},19~{R},23~{S},24~{E},27~{S},28~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-24,28-dien-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C40H78O/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/h13,16,22,28,33-39,41H,11-12,14-15,17-21,23-27,29-32H2,1-10H3/b22-13+,28-16+/t34-,35-,36-,37+,38+,39-/m1/s1 |
| InChIKey | InChI | 1.03 | NKXXNXZGYNRQNV-BTRAWPHCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C\C=C\[C@@H](C)C\C=C\[C@@H](C)CCC[C@H](C)CCCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)(C)O |
| SMILES | CACTVS | 3.385 | CC(C)CC=C[CH](C)CC=C[CH](C)CCC[CH](C)CCCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CCCC[C@@H](C)CCC[C@H](C)/C=C/C[C@H](C)/C=C/CC(C)C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)(C)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC=CC(C)CC=CC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)CCCC(C)(C)O |
