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 | C17H28O2 |
| Molecular Weight | 264.40 g/mol |
| Exact Mass | 264.2089 Da |
| InChI |
InChI=1S/C17H28O2/c1-6-8-14(18)12-16(5)11-9-15(13(3)4)17(16,19)10-7-2/h6-7,13,15,19H,1-2,8-12H2,3-5H3/t15-,16-,17+/m0/s1
|
| InChIKey |
KVDASTCUBLKAPS-YESZJQIVSA-N
|
| SMILES |
C=CCC(=O)C[C@]1(C)CC[C@@H](C(C)C)[C@@]1(CC=C)O
|
| Number of Atoms | 47 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 1 |
| XLogP | 3.8 |
