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 | C19H18O7 |
| Molecular Weight | 358.34 g/mol |
| Exact Mass | 358.1053 Da |
| InChI |
InChI=1S/C19H18O7/c1-11(20)25-15-2-3-17(21)19(6-13-9-24-10-14(13)15)7-16(26-18(19)22)12-4-5-23-8-12/h4-5,8-10,15-16H,2-3,6-7H2,1H3/t15-,16-,19-/m0/s1
|
| InChIKey |
ARMMOWHLJJIPRH-BXWFABGCSA-N
|
| SMILES |
CC(=O)O[C@H]1CCC(=O)[C@]2(CC3=COC=C31)C[C@@H](C4=COC=C4)OC2=O
|
| Number of Atoms | 44 |
| Number of H-Bond Acceptors | 7 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 5 |
| XLogP | 0.9 |
