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 | C48H68O4Si2 |
| Molecular Weight | 765.22 g/mol |
| Exact Mass | 764.4656 Da |
| InChI |
InChI=1S/C48H68O4Si2/c1-35-26-27-43-46(6,31-41-44(35)42(32-47(41,7)52-53(8,9)10)49-33-37-20-14-11-15-21-37)28-29-48(43)36(2)30-38(51-48)34-50-54(45(3,4)5,39-22-16-12-17-23-39)40-24-18-13-19-25-40/h11-26,36,38,41-44H,27-34H2,1-10H3/b35-26-/t36-,38+,41-,42-,43+,44+,46+,47+,48-/m0/s1
|
| InChIKey |
PBCVHSSWMSBPRJ-ARZSNQFLSA-N
|
| SMILES |
C/C/1=C/C[C@]2([H])[C@](C)(CC[C@@]32[C@@H](C)C[C@]([H])(CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)O3)C[C@@]6([H])[C@]1([H])[C@H](C[C@@]6(C)O[Si](C)(C)C)OCC7=CC=CC=C7
|
| Number of Atoms | 122 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 6 |
| XLogP | 10.2 |
