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 | C25H40Cl2O3Si |
| Molecular Weight | 487.58 g/mol |
| Exact Mass | 486.2124 Da |
| InChI |
InChI=1S/C25H40Cl2O3Si/c1-15(2)16-10-11-23(6)12-18-20(21(29)25(26,27)13-17(16)23)19(28)14-24(18,7)30-31(8,9)22(3,4)5/h17-18,20H,10-14H2,1-9H3/t17-,18-,20-,23+,24+/m0/s1
|
| InChIKey |
OAKHKOOQMYYFAC-TXAUNCEXSA-N
|
| SMILES |
CC(=C1CC[C@]2(C)C[C@@]3([H])[C@@]([H])(C(=O)C[C@@]3(C)O[Si](C)(C)C(C)(C)C)C(=O)C(C[C@@]12[H])(Cl)Cl)C
|
| Number of Atoms | 71 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 2 |
| XLogP | 6.1 |
