Strategies to access the [5-8] bicyclic core encountered in the sesquiterpene, diterpene and sesterterpene series
Cécile Alleman, Charlène Gadais, Laurent Legentil and François-Hugues Porée
Beilstein J. Org. Chem. 2023, 19, 245–281.
https://doi.org/10.3762/bjoc.19.23
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C20H28O |
| Molecular Weight | 284.44 g/mol |
| Exact Mass | 284.2140 Da |
| InChI |
InChI=1S/C20H28O/c1-11(2)18-16-8-6-12(3)14-7-5-13(4)15(14)9-20(16)10-17(20)19(18)21/h6,11,14,16-18H,5,7-10H2,1-4H3/b12-6-/t14-,16+,17-,18+,20+/m0/s1
|
| InChIKey |
NJAIILXULWQJFL-AAUKFKSASA-N
|
| SMILES |
CC(C)[C@@H]1[C@@]2([H])C/C=C(/C)\[C@]3([H])CCC(=C3C[C@]42C[C@H]4C1=O)C
|
| Number of Atoms | 49 |
| Number of H-Bond Acceptors | 1 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 2 |
| XLogP | 4.6 |
