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/c1-10-12(17)7-8-16(2,3)14-9-11(15(18)20-14)5-6-13(10)19-4/h7-10,13-14H,5-6H2,1-4H3/b8-7+/t10-,13+,14-/m0/s1
|
| InChIKey |
HPGYBZOQGJQYPJ-IWRXNYQTSA-N
|
| SMILES |
C[C@H]1C(=O)/C=C/C(C)(C)[C@]2([H])C=C(CC[C@H]1OC)C(=O)O2
|
| Number of Atoms | 42 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 5 |
| XLogP | 1.4 |
