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 | C15H19IO3 |
| Molecular Weight | 374.21 g/mol |
| Exact Mass | 374.0379 Da |
| InChI |
InChI=1S/C15H19IO3/c1-11(10-17)5-4-6-12-9-13(19-14(12)18)15(2,3)7-8-16/h5,7-10,13H,4,6H2,1-3H3/b8-7+,11-5+/t13-/m0/s1
|
| InChIKey |
MZHZXIZOORUAJF-JGHAMJDISA-N
|
| SMILES |
C/C(=C\CCC1=C[C@@H](C(C)(C)/C=C/I)OC1=O)/C=O
|
| Number of Atoms | 38 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 5 |
| XLogP | 3.5 |