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 | C20H34O |
| Molecular Weight | 290.48 g/mol |
| Exact Mass | 290.2610 Da |
| InChI |
InChI=1S/C20H34O/c1-13(2)15-8-10-19(4)12-16-14(3)6-7-18(16)20(5,21)11-9-17(15)19/h9,13-16,18,21H,6-8,10-12H2,1-5H3/b17-9-/t14-,15-,16-,18-,19-,20+/m1/s1
|
| InChIKey |
JEGYHIKVYHOKQY-PNDCXJIESA-N
|
| SMILES |
CC(C)[C@H]\1CC[C@]/2(C)C[C@]3([H])[C@]([H])(C)CC[C@@]3([H])[C@](C)(C/C=C12)O
|
| Number of Atoms | 55 |
| Number of H-Bond Acceptors | 1 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 2 |
| XLogP | 6.6 |
