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/c1-15(2)18-8-9-24(4)10-11-25(5)13-19-16(3)12-21(27)22(19)17(14-26)6-7-20(25)23(18)24/h6,14,16,18-20,22-23H,1,7-13H2,2-5H3/b17-6-/t16-,18+,19-,20-,22-,23-,24-,25+/m0/s1
|
| InChIKey |
XAYQASOMEVLRKN-NOJNFTMQSA-N
|
| SMILES |
C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@@]4([H])[C@@H](C)CC(=O)[C@@]4([H])/C(=C\C[C@@]3([H])[C@]12[H])/C=O
|
| Number of Atoms | 63 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 4 |
| XLogP | 7.3 |
