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 | C32H54Cl2O4Si |
| Molecular Weight | 601.76 g/mol |
| Exact Mass | 600.3168 Da |
| InChI |
InChI=1S/C32H54Cl2O4Si/c1-20(2)13-12-14-21(3)23-15-16-30(8)17-25-27(28(36)32(33,34)18-24(23)30)26(37-22(4)35)19-31(25,9)38-39(10,11)29(5,6)7/h13,21,23-27H,12,14-19H2,1-11H3/t21-,23+,24-,25-,26+,27?,30+,31-/m1/s1
|
| InChIKey |
CDYPEEKDTGFHBA-KIUMFSFESA-N
|
| SMILES |
CC(=CCC[C@@H](C)[C@]1([H])CC[C@@]2(C)C[C@]3([H])C([C@H](C[C@@]3(C)O[Si](C)(C)C(C)(C)C)OC(=O)C)C(=O)C(C[C@]12[H])(Cl)Cl)C
|
| Number of Atoms | 93 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 3 |
| XLogP | 10.5 |
