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 | C28H32O5 |
| Molecular Weight | 448.55 g/mol |
| Exact Mass | 448.2250 Da |
| InChI |
InChI=1S/C28H32O5/c1-18-15-23-19(2)25(29)16-24(23)22(17-32-27(30)20-9-5-3-6-10-20)13-14-26(18)33-28(31)21-11-7-4-8-12-21/h3-12,18-19,22-24,26H,13-17H2,1-2H3/t18-,19-,22-,23-,24-,26-/m1/s1
|
| InChIKey |
PXJUZNAHDQWCIB-OLYRHMCASA-N
|
| SMILES |
C[C@@H]1C[C@]2([H])[C@@H](C)C(=O)C[C@]2([H])[C@]([H])(CC[C@H]1OC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4
|
| Number of Atoms | 65 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 9 |
| XLogP | 4.4 |
