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 | C20H27NO5 |
| Molecular Weight | 361.43 g/mol |
| Exact Mass | 361.1889 Da |
| InChI |
InChI=1S/C20H27NO5/c1-6-20(4,13-25-11-15-7-9-16(24-5)10-8-15)18(22)21-17(14(2)3)12-26-19(21)23/h6-10,14,17H,1,11-13H2,2-5H3/t17-,20+/m0/s1
|
| InChIKey |
HOXGZNVLNRXADV-FXAWDEMLSA-N
|
| SMILES |
C=C[C@](C)(COCC1=CC=C(C=C1)OC)C(=O)N2[C@@H](COC2=O)C(C)C
|
| Number of Atoms | 53 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 7 |
| XLogP | 2.5 |
