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 | C15H20O4 |
| Molecular Weight | 264.32 g/mol |
| Exact Mass | 264.1362 Da |
| InChI |
InChI=1S/C15H20O4/c1-14(2)7-6-10(16)15(3)11(19-15)5-4-9-8-12(14)18-13(9)17/h6-8,10-12,16H,4-5H2,1-3H3/b7-6+/t10-,11-,12-,15+/m0/s1
|
| InChIKey |
AHLYBCRXDVKDFN-FGITVGIASA-N
|
| SMILES |
CC1(C)/C=C/[C@@H]([C@]2(C)[C@H](CCC3=C[C@]1([H])OC3=O)O2)O
|
| Number of Atoms | 39 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 5 |
| XLogP | 1.3 |