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 | C30H48O2Si |
| Molecular Weight | 468.79 g/mol |
| Exact Mass | 468.3423 Da |
| InChI |
InChI=1S/C30H48O2Si/c1-22(2)26-17-18-30(7)19-28(32-33(8,9)29(4,5)6)23(3)25(15-16-27(26)30)21-31-20-24-13-11-10-12-14-24/h10-15,22,26-28H,3,16-21H2,1-2,4-9H3/b25-15-/t26-,27+,28+,30-/m1/s1
|
| InChIKey |
BMLKMBXXUMQMKP-YHBGTJNNSA-N
|
| SMILES |
CC(C)[C@H]1CC[C@]2(C)C[C@@H](C(=C)/C(=C\C[C@@]12[H])/COCC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C
|
| Number of Atoms | 81 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 6 |
| XLogP | 9.2 |
