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 | C21H32O3 |
| Molecular Weight | 332.48 g/mol |
| Exact Mass | 332.2351 Da |
| InChI |
InChI=1S/C21H32O3/c1-12(2)20-17-8-18(22)13(3)15-7-6-14(11-24-5)16(15)9-21(17,4)10-19(20)23/h12-13,15,18,22H,6-11H2,1-5H3/t13-,15+,18+,21+/m1/s1
|
| InChIKey |
NGGCVNBGYQYVHU-YCNDBHRSSA-N
|
| SMILES |
CC(C)C1=C2C[C@@H]([C@H](C)[C@]3([H])CCC(=C3C[C@@]2(C)CC1=O)COC)O
|
| Number of Atoms | 56 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 4 |
| XLogP | 1.5 |
