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 | C15H18O3 |
| Molecular Weight | 246.30 g/mol |
| Exact Mass | 246.1256 Da |
| InChI |
InChI=1S/C15H18O3/c1-7-4-3-5-8-10-11(12(7)16)9-6-15(9,2)13(10)18-14(8)17/h4,8-11,13H,3,5-6H2,1-2H3/b7-4-/t8-,9-,10-,11+,13-,15-/m0/s1
|
| InChIKey |
DTEGLWIVCXHONU-HCGZKGJPSA-N
|
| SMILES |
C/C/1=C/CC[C@@]2([H])[C@@]3([H])[C@@]([H])([C@]4([H])C[C@]4(C)[C@@]3([H])OC2=O)C1=O
|
| Number of Atoms | 36 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 4 |
| XLogP | 1.4 |
