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 structure [C<sub>20</sub>H<sub>33</sub>]<sup>+</sup>](/bjoc/content/substance/1860-5397-19-23-BSJFTRUCVHQEML-GFLWRXIMSA-N.svg)
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | [C20H33]+ |
| Molecular Weight | 273.48 g/mol |
| Exact Mass | 273.2582 Da |
| InChI |
InChI=1S/C20H33/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h7,13,15-16,18-19H,6,8-12H2,1-5H3/q+1/b14-7-/t15-,16-,18-,19+,20-/m1/s1
|
| InChIKey |
BSJFTRUCVHQEML-GFLWRXIMSA-N
|
| SMILES |
CC(C)[C@H]1CC[C@]2(C)C[C@]3([H])[C@]([H])(C)CC[C+]3/C(=C\C[C@@]12[H])/C
|
| Number of Atoms | 53 |
| Number of H-Bond Acceptors | 0 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 3 |
| XLogP | 9.6 |
