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 | C21H36O3Si |
| Molecular Weight | 364.59 g/mol |
| Exact Mass | 364.2434 Da |
| InChI |
InChI=1S/C21H36O3Si/c1-7-25(8-2,9-3)24-18-14(4)11-10-12-15-17-16(18)13-21(5,6)19(17)23-20(15)22/h10-11,14-19H,7-9,12-13H2,1-6H3/b11-10-/t14-,15-,16?,17?,18+,19?/m0/s1
|
| InChIKey |
AQLRBNZHNWTPKS-BKFRNZIQSA-N
|
| SMILES |
CC[Si](CC)(CC)O[C@@H]1[C@@H](C)/C=C\C[C@H]2C3C1CC(C)(C)C3OC2=O
|
| Number of Atoms | 61 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 3 |
| XLogP | 5.2 |
