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 | C50H72O4Si2 |
| Molecular Weight | 793.28 g/mol |
| Exact Mass | 792.4969 Da |
| InChI |
InChI=1S/C50H72O4Si2/c1-13-23-45-48(8,33-43-46(37(2)3)44(34-49(43,9)54-55(10,11)12)51-35-39-24-17-14-18-25-39)30-31-50(45)38(4)32-40(53-50)36-52-56(47(5,6)7,41-26-19-15-20-27-41)42-28-21-16-22-29-42/h13-22,24-29,38,40,43-46H,1-2,23,30-36H2,3-12H3/t38-,40+,43-,44-,45+,46+,48+,49+,50-/m0/s1
|
| InChIKey |
XQMVMPDNXPKJDB-MIZIPIMQSA-N
|
| SMILES |
C=CC[C@]1([H])[C@](C)(CC[C@@]21[C@@H](C)C[C@]([H])(CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O2)C[C@@]5([H])[C@@H](C(=C)C)[C@H](C[C@@]5(C)O[Si](C)(C)C)OCC6=CC=CC=C6
|
| Number of Atoms | 128 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 6 |
| XLogP | 11.4 |
