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 | C19H26F3NO5S |
| Molecular Weight | 437.48 g/mol |
| Exact Mass | 437.1484 Da |
| InChI |
InChI=1S/C19H26F3NO5S/c1-10(2)12-7-8-18(4,17(12)28-29(26,27)19(20,21)22)16(25)15-13(11(3)9-23)5-6-14(15)24/h10-11,13,15-16,25H,5-8H2,1-4H3/t11-,13-,15?,16?,18+/m0/s1
|
| InChIKey |
ASFMPASEQRDFKR-NSINTYHLSA-N
|
| SMILES |
CC(C)C1=C([C@](C)(CC1)C(C2[C@@]([H])(CCC2=O)[C@@H](C)C#N)O)OS(=O)(=O)C(F)(F)F
|
| Number of Atoms | 55 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 6 |
| XLogP | 1.8 |
