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 | C20H32O |
| Molecular Weight | 288.47 g/mol |
| Exact Mass | 288.2453 Da |
| InChI |
InChI=1S/C20H32O/c1-14(2)17-11-13-20(5)12-10-16(4)19(21)9-7-15(3)6-8-18(17)20/h7,9-10,14-15,17-18H,6,8,11-13H2,1-5H3/b9-7+,16-10+/t15-,17+,18-,20-/m0/s1
|
| InChIKey |
KUORROJRODEMEB-YZIBIAMCSA-N
|
| SMILES |
CC(C)[C@H]1CC[C@]2(C)C/C=C(\C)/C(=O)/C=C/[C@@H](C)CC[C@@]12[H]
|
| Number of Atoms | 53 |
| Number of H-Bond Acceptors | 1 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 6 |
| XLogP | 7.6 |
