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 | C25H36O |
| Molecular Weight | 352.55 g/mol |
| Exact Mass | 352.2766 Da |
| InChI |
InChI=1S/C25H36O/c1-15(2)7-6-8-18(5)23-21-12-10-16(3)19-11-9-17(4)20(19)13-25(21)14-22(25)24(23)26/h7,10,18-19,21-23H,6,8-9,11-14H2,1-5H3/b16-10-/t18-,19-,21+,22-,23+,25+/m0/s1
|
| InChIKey |
VGEPHYHAQFZHKT-FSXTWSKCSA-N
|
| SMILES |
CC(=CCC[C@H](C)[C@]1([H])[C@@]2([H])C/C=C(/C)\[C@]3([H])CCC(=C3C[C@]42C[C@H]4C1=O)C)C
|
| Number of Atoms | 62 |
| Number of H-Bond Acceptors | 1 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 2 |
| XLogP | 6.5 |
