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 | C19H21BN2O4S2 |
| Molecular Weight | 416.32 g/mol |
| Exact Mass | 416.1036 Da |
| InChI |
InChI=1S/C19H21BN2O4S2/c1-4-13-20-21(27(23,24)18-9-5-16(2)6-10-18)14-15-22(20)28(25,26)19-11-7-17(3)8-12-19/h1,5-12H,13-15H2,2-3H3
|
| InChIKey |
JUDRIFAXMCXIHE-UHFFFAOYSA-N
|
| SMILES |
C#CCB1N(CCN1S(=O)(=O)C2=CC=C(C)C=C2)S(=O)(=O)C3=CC=C(C)C=C3
|
| Number of Atoms | 49 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 10 |
| XLogP | 1.3 |
