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 | C25H40O3 |
| Molecular Weight | 388.58 g/mol |
| Exact Mass | 388.2978 Da |
| InChI |
InChI=1S/C25H40O3/c1-14(2)21-19-12-24(27)18(11-22(19,5)13-20(21)26)15(3)7-8-17-16(4)9-10-25(17)23(24,6)28-25/h14-19,21,27H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,21+,22-,23+,24+,25-/m1/s1
|
| InChIKey |
CCWRAFQAZPWQJU-ZPBHGQSHSA-N
|
| SMILES |
CC(C)[C@H]1[C@@]2([H])C[C@@]3([C@@]([H])(C[C@]2(C)CC1=O)[C@H](C)CC[C@]4([H])[C@H](C)CC[C@]45[C@@]3(C)O5)O
|
| Number of Atoms | 68 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 1 |
| XLogP | 5.4 |
