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 | C20H36O7P2 |
| Molecular Weight | 450.44 g/mol |
| Exact Mass | 450.1936 Da |
| InChI |
InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+
|
| InChIKey |
OINNEUNVOZHBOX-QIRCYJPOSA-N
|
| SMILES |
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)C
|
| Number of Atoms | 65 |
| Number of H-Bond Acceptors | 7 |
| Number of H-Bond Donors | 3 |
| Atoms in the Largest π-System | 9 |
| XLogP | 3.7 |
