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 | C23H34O6 |
| Molecular Weight | 406.51 g/mol |
| Exact Mass | 406.2355 Da |
| InChI |
InChI=1S/C23H34O6/c1-16-8-11-23(10-7-12-24,15-19(16)20(26)28-6)17(2)14-18(9-13-25)29-21(27)22(3,4)5/h12-13,15-16,18H,2,7-11,14H2,1,3-6H3/t16-,18?,23+/m1/s1
|
| InChIKey |
QSUJOGQBAYRWMU-PCRBNMLWSA-N
|
| SMILES |
C[C@@H]1CC[C@@](CCC=O)(C=C1C(=O)OC)C(=C)CC(CC=O)OC(=O)C(C)(C)C
|
| Number of Atoms | 63 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 5 |
| XLogP | 4.0 |
