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 | C25H38O4 |
| Molecular Weight | 402.57 g/mol |
| Exact Mass | 402.2770 Da |
| InChI |
InChI=1S/C25H38O4/c1-16(2)7-6-8-17(3)25(29)12-11-23(4)13-19-22(20(27)14-24(19,5)28)18(15-26)9-10-21(23)25/h7,9,15,17,19,21-22,28-29H,6,8,10-14H2,1-5H3/b18-9-/t17-,19-,21+,22+,23+,24+,25-/m0/s1
|
| InChIKey |
SXRLPRKYTRWOES-PCQMDVLKSA-N
|
| SMILES |
CC(=CCC[C@H](C)[C@]1(CC[C@]2(C)C[C@@]3([H])[C@@]([H])(/C(=C\C[C@]21[H])/C=O)C(=O)C[C@@]3(C)O)O)C
|
| Number of Atoms | 67 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 2 |
| Atoms in the Largest π-System | 4 |
| XLogP | 3.5 |
