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 | C25H36O4 |
| Molecular Weight | 400.55 g/mol |
| Exact Mass | 400.2614 Da |
| InChI |
InChI=1S/C25H36O4/c1-15(2)10-18-11-16(3)25(29-18)9-8-23(4)12-19-22(20(27)13-24(19,5)28)17(14-26)6-7-21(23)25/h6,10,14,16,18-19,21-22,28H,7-9,11-13H2,1-5H3/b17-6-/t16-,18-,19-,21+,22-,23+,24+,25-/m0/s1
|
| InChIKey |
MWYYLZRWWNBROW-RXAKKKFQSA-N
|
| SMILES |
CC(=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@]4([H])[C@]([H])(/C(=C\C[C@]32[H])/C=O)C(=O)C[C@@]4(C)O)O1)C
|
| Number of Atoms | 65 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 4 |
| XLogP | 3.1 |
