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)12-18-16(9-11-20(18,5)21)14(3)6-7-17(15)19/h6,13,15-18,21H,7-12H2,1-5H3/b14-6-/t15-,16+,17-,18+,19+,20-/m0/s1
|
| InChIKey |
SXHOTSAXEDIMFP-FQPCAROBSA-N
|
| SMILES |
CC(C)[C@@H]1CC[C@]2(C)C[C@]3([H])[C@]([H])(CC[C@]3(C)O)/C(=C\C[C@@]12[H])/C
|
| Number of Atoms | 55 |
| Number of H-Bond Acceptors | 1 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 2 |
| XLogP | 6.9 |
