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 | C25H32O3 |
| Molecular Weight | 380.52 g/mol |
| Exact Mass | 380.2351 Da |
| InChI |
InChI=1S/C25H32O3/c1-19(2)22-14-15-25(3,17-21-12-13-24(26)28-21)23(22)11-7-8-16-27-18-20-9-5-4-6-10-20/h4-12,16,19,22-23H,13-15,17-18H2,1-3H3/b11-7+,16-8?/t22-,23+,25-/m1/s1
|
| InChIKey |
QEVFSBBLYNCWPY-BHQFIMIFSA-N
|
| SMILES |
CC(C)[C@H]1CC[C@](C)(CC2=CCC(=O)O2)[C@@]1([H])/C=C/C=COCC3=CC=CC=C3
|
| Number of Atoms | 60 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 6 |
| XLogP | 6.7 |
