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 | C12H19NO3 |
| Molecular Weight | 225.28 g/mol |
| Exact Mass | 225.1365 Da |
| InChI |
InChI=1S/C12H19NO3/c1-5-6-9(4)11(14)13-10(8(2)3)7-16-12(13)15/h5,8-10H,1,6-7H2,2-4H3/t9-,10?/m0/s1
|
| InChIKey |
MIOBGDQPVWSSTB-RGURZIINSA-N
|
| SMILES |
C=CC[C@H](C)C(=O)N1C(COC1=O)C(C)C
|
| Number of Atoms | 35 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 6 |
| XLogP | 2.1 |