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 | C25H36O2 |
| Molecular Weight | 368.55 g/mol |
| Exact Mass | 368.2715 Da |
| InChI |
InChI=1S/C25H36O2/c1-16(2)7-6-8-17(3)20-11-12-25(5)14-21-18(4)13-23(27)24(21)19(15-26)9-10-22(20)25/h7,9,13,15,17,20-22,24H,6,8,10-12,14H2,1-5H3/b19-9-/t17-,20+,21+,22-,24-,25+/m1/s1
|
| InChIKey |
YHDCEAQTLJKEIK-BZTUMCIMSA-N
|
| SMILES |
CC(=CCC[C@@H](C)[C@]1([H])CC[C@@]2(C)C[C@@]3([H])C(=CC(=O)[C@]3([H])/C(=C\C[C@]12[H])/C=O)C)C
|
| Number of Atoms | 63 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 4 |
| XLogP | 7.1 |
