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 | C25H41F3O6SSi |
| Molecular Weight | 554.74 g/mol |
| Exact Mass | 554.2345 Da |
| InChI |
InChI=1S/C25H41F3O6SSi/c1-16(2)19-10-12-23(5,22(19)33-35(30,31)25(26,27)28)14-21-20(17(3)18(4)29)11-13-24(21,15-32-6)34-36(7,8)9/h14,16-17,20H,10-13,15H2,1-9H3/b21-14+/t17-,20-,23+,24-/m0/s1
|
| InChIKey |
IEHBAXYSVWTXAY-UNUMVQQISA-N
|
| SMILES |
CC(C)C1=C([C@](C)(CC1)/C=C/2\[C@@]([H])(CC[C@@]2(COC)O[Si](C)(C)C)[C@@H](C)C(=O)C)OS(=O)(=O)C(F)(F)F
|
| Number of Atoms | 77 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 6 |
| XLogP | 4.0 |
