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 | C20H30O4 |
| Molecular Weight | 334.45 g/mol |
| Exact Mass | 334.2144 Da |
| InChI |
InChI=1S/C20H30O4/c1-11(2)12-6-7-19(3)9-16-14-8-17(20(16,23)10-21)24-18(22)13(14)4-5-15(12)19/h4,11-12,14-17,21,23H,5-10H2,1-3H3/b13-4+/t12-,14+,15+,16-,17-,19-,20+/m1/s1
|
| InChIKey |
GWNHAMYTHQFCMC-RGBUBAQNSA-N
|
| SMILES |
CC(C)[C@H]1CC[C@]2(C)C[C@]3([H])[C@@]/4([H])C[C@H]([C@@]3(CO)O)OC(=O)\C4=C\C[C@@]12[H]
|
| Number of Atoms | 54 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 5 |
| XLogP | 4.3 |
