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 | C20H32O |
| Molecular Weight | 288.47 g/mol |
| Exact Mass | 288.2453 Da |
| InChI |
InChI=1S/C20H32O/c1-12-6-7-14-13(2)10-17-18-16(19(3,4)21-17)8-9-20(18,5)11-15(12)14/h12,14-18H,2,6-11H2,1,3-5H3/t12-,14+,15+,16-,17+,18-,20-/m1/s1
|
| InChIKey |
PODKCDPRHXSRRA-NUIBMGQQSA-N
|
| SMILES |
C[C@@H]1CC[C@@]2([H])C(=C)C[C@@]3([H])[C@@]4([H])[C@@]([H])(CC[C@]4(C)C[C@@]12[H])C(C)(C)O3
|
| Number of Atoms | 53 |
| Number of H-Bond Acceptors | 1 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 1 |
| XLogP | 6.3 |
