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 | C20H32 |
| Molecular Weight | 272.47 g/mol |
| Exact Mass | 272.2504 Da |
| InChI |
InChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h7,12-13,15-17,19H,6,8-11H2,1-5H3/b14-7-,18-12-/t15-,16+,17-,19+,20-/m1/s1
|
| InChIKey |
KNNRIYUWKBPKEN-NTGWUHPVSA-N
|
| SMILES |
CC(C)[C@@H]1CC[C@]2(C)/C=C\3/[C@H](C)CC[C@]3([H])/C(=C\C[C@@]12[H])/C
|
| Number of Atoms | 52 |
| Number of H-Bond Acceptors | 0 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 2 |
| XLogP | 8.1 |
