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 | C22H34O5 |
| Molecular Weight | 378.50 g/mol |
| Exact Mass | 378.2406 Da |
| InChI |
InChI=1S/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3/t13-,14+,16-,18+,19+,20-,21+,22+/m1/s1
|
| InChIKey |
ZRZNJUXESFHSIO-BKUNHTPHSA-N
|
| SMILES |
C=C[C@]1(C)C[C@H]([C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@@]23[H])[C@@H](C)[C@@H]1O)OC(=O)CO
|
| Number of Atoms | 61 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 3 |
| XLogP | 2.7 |
