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 | C25H41Cl3O3Si |
| Molecular Weight | 524.04 g/mol |
| Exact Mass | 522.1890 Da |
| InChI |
InChI=1S/C25H41Cl3O3Si/c1-11-23(7,14-12-13-17(2)3)15-18-20(21(30)25(26,27)28)19(29)16-24(18,8)31-32(9,10)22(4,5)6/h11,13,18,20H,1,12,14-16H2,2-10H3/t18-,20-,23+,24+/m0/s1
|
| InChIKey |
VDTSYNQVNWBRMA-FOZDKVSISA-N
|
| SMILES |
C=C[C@](C)(CCC=C(C)C)C[C@@]1([H])[C@@]([H])(C(=O)C[C@@]1(C)O[Si](C)(C)C(C)(C)C)C(=O)C(Cl)(Cl)Cl
|
| Number of Atoms | 73 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 2 |
| XLogP | 7.9 |
