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 | C26H34O3 |
| Molecular Weight | 394.55 g/mol |
| Exact Mass | 394.2508 Da |
| InChI |
InChI=1S/C26H34O3/c1-18(2)22-12-13-26(4)15-25(28)23(14-19(3)27)21(10-11-24(22)26)17-29-16-20-8-6-5-7-9-20/h5-10,14,18,22,24H,11-13,15-17H2,1-4H3/b21-10-,23-14+/t22-,24+,26-/m1/s1
|
| InChIKey |
ORAPYFQMSFMFQQ-XNWYXRSUSA-N
|
| SMILES |
CC(C)[C@H]1CC[C@]2(C)CC(=O)/C(=C/C(=O)C)/C(=C\C[C@@]12[H])/COCC3=CC=CC=C3
|
| Number of Atoms | 63 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 8 |
| XLogP | 5.6 |
