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 | C17H22O |
| Molecular Weight | 242.36 g/mol |
| Exact Mass | 242.1671 Da |
| InChI |
InChI=1S/C17H22O/c1-10-3-5-12-7-16(18)15-9-17(12,15)8-14-11(2)4-6-13(10)14/h3,12-13,15H,4-9H2,1-2H3/b10-3-/t12-,13+,15+,17-/m1/s1
|
| InChIKey |
LKMCMMFEPRBWLM-RDEMAMMSSA-N
|
| SMILES |
C/C/1=C/C[C@]2([H])CC(=O)[C@@H]3C[C@]23CC4=C(C)CC[C@@]14[H]
|
| Number of Atoms | 40 |
| Number of H-Bond Acceptors | 1 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 2 |
| XLogP | 3.2 |
