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 | C20H24O3 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.1725 Da |
| InChI |
InChI=1S/C20H24O3/c1-4-9-18-20(2,3)14-17(19(21)23-18)12-8-13-22-15-16-10-6-5-7-11-16/h5-7,9-11,14,18H,1,8,12-13,15H2,2-3H3
|
| InChIKey |
NMEQDCLGFGXBKM-UHFFFAOYSA-N
|
| SMILES |
C=C=CC1C(C)(C)C=C(CCCOCC2=CC=CC=C2)C(=O)O1
|
| Number of Atoms | 47 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 6 |
| XLogP | 4.9 |
