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 | C32H53Cl3O4Si |
| Molecular Weight | 636.21 g/mol |
| Exact Mass | 634.2779 Da |
| InChI |
InChI=1S/C32H53Cl3O4Si/c1-13-30(9,19-15-18-23(4)17-14-16-22(2)3)20-25-27(28(37)32(33,34)35)26(38-24(5)36)21-31(25,10)39-40(11,12)29(6,7)8/h13,16,18,25-27H,1,14-15,17,19-21H2,2-12H3/b23-18+/t25-,26+,27-,30+,31-/m1/s1
|
| InChIKey |
AIDBIJOHOLHUHQ-RQMZESPCSA-N
|
| SMILES |
C=C[C@@](C)(CC/C=C(\C)/CCC=C(C)C)C[C@]1([H])[C@]([H])([C@H](C[C@@]1(C)O[Si](C)(C)C(C)(C)C)OC(=O)C)C(=O)C(Cl)(Cl)Cl
|
| Number of Atoms | 93 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 3 |
| XLogP | 10.8 |
