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 | C22H38O3Si |
| Molecular Weight | 378.62 g/mol |
| Exact Mass | 378.2590 Da |
| InChI |
InChI=1S/C22H38O3Si/c1-8-13-16-19-17(15-22(6,7)20(19)24-21(16)23)18(14-9-2)25-26(10-3,11-4)12-5/h8-9,16-20H,1-2,10-15H2,3-7H3/t16-,17?,18?,19?,20?/m0/s1
|
| InChIKey |
NFZZVNCANALXPG-KUNTWMTDSA-N
|
| SMILES |
C=CC[C@H]1C2C(CC(C)(C)C2OC1=O)C(CC=C)O[Si](CC)(CC)CC
|
| Number of Atoms | 64 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 3 |
| XLogP | 6.1 |
