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 | C20H26O3 |
| Molecular Weight | 314.42 g/mol |
| Exact Mass | 314.1882 Da |
| InChI |
InChI=1S/C20H26O3/c1-11(2)14-9-17(22)18(5)10-19-13(4)16(21)8-15(19)12(3)6-7-20(14,18)23-19/h6,9,11,13,15H,7-8,10H2,1-5H3/t13?,15-,18+,19?,20?/m0/s1
|
| InChIKey |
XZAMUHQMNDNZKR-TWJUSWFFSA-N
|
| SMILES |
CC(C)C1=CC(=O)[C@@]2(C)CC34C(C)C(=O)C[C@@]4([H])C(=CCC12O3)C
|
| Number of Atoms | 49 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 4 |
| XLogP | 1.1 |
