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 | C20H32O2 |
| Molecular Weight | 304.47 g/mol |
| Exact Mass | 304.2402 Da |
| InChI |
InChI=1S/C20H32O2/c1-13(2)16-9-11-20(5)10-8-15(4)19(22)18(21)12-14(3)6-7-17(16)20/h8,13-14,16-17H,6-7,9-12H2,1-5H3/b15-8+/t14-,16+,17-,20-/m0/s1
|
| InChIKey |
KRXRWHXGSUETBX-GGGDOAPKSA-N
|
| SMILES |
CC(C)[C@H]1CC[C@]2(C)C/C=C(\C)/C(=O)C(=O)C[C@@H](C)CC[C@@]12[H]
|
| Number of Atoms | 54 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 6 |
| XLogP | 6.8 |