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 | C25H36O3 |
| Molecular Weight | 384.55 g/mol |
| Exact Mass | 384.2664 Da |
| InChI |
InChI=1S/C25H36O3/c1-16(2)7-6-8-17(3)19-11-12-24(4)13-21-23(22(27)14-25(21,5)28)18(15-26)9-10-20(19)24/h7,9,11,15,17,20-21,23,28H,6,8,10,12-14H2,1-5H3/b18-9-/t17-,20-,21-,23+,24+,25+/m0/s1
|
| InChIKey |
YVGINRGIDPTPQF-PUIZSHONSA-N
|
| SMILES |
CC(=CCC[C@H](C)C1=CC[C@]2(C)C[C@@]3([H])[C@@]([H])(/C(=C\C[C@@]12[H])/C=O)C(=O)C[C@@]3(C)O)C
|
| Number of Atoms | 64 |
| Number of H-Bond Acceptors | 3 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 4 |
| XLogP | 5.3 |
