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 | C16H22O4 |
| Molecular Weight | 278.34 g/mol |
| Exact Mass | 278.1518 Da |
| InChI |
InChI=1S/C16H22O4/c1-7-8(19-4)5-6-16-10-9(11(7)17)12(16)15(2,3)13(10)20-14(16)18/h7-10,12-13H,5-6H2,1-4H3/t7-,8-,9+,10+,12-,13+,16?/m1/s1
|
| InChIKey |
QFBHCJAQSZGFLR-WLQQDSEXSA-N
|
| SMILES |
C[C@@H]1[C@@H](CCC23[C@@]4([H])[C@@]([H])(C1=O)[C@]3([H])C(C)(C)[C@@]4([H])OC2=O)OC
|
| Number of Atoms | 42 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 3 |
| XLogP | 0.8 |
