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 | C13H17IO2 |
| Molecular Weight | 332.18 g/mol |
| Exact Mass | 332.0273 Da |
| InChI |
InChI=1S/C13H17IO2/c1-4-11(13(2,3)8-9-14)16-12(15)10-6-5-7-10/h4,6,8-9,11H,1,5,7H2,2-3H3/b9-8+/t11-/m0/s1
|
| InChIKey |
JPROFKOGDDIJPX-FBOQAHMBSA-N
|
| SMILES |
C=C[C@@H](C(C)(C)/C=C/I)OC(=O)C1=CCC1
|
| Number of Atoms | 33 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 5 |
| XLogP | 3.8 |