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 | C25H42O5 |
| Molecular Weight | 422.60 g/mol |
| Exact Mass | 422.3032 Da |
| InChI |
InChI=1S/C25H42O5/c1-9-18(5)19-11-14-24(15-28-7,30-16-29-8)21(19)22(26)23(6)13-12-20(17(3)4)25(23,27)10-2/h9-10,17-21,27H,1-2,11-16H2,3-8H3/t18-,19-,20-,21+,23+,24-,25-/m0/s1
|
| InChIKey |
DTIZLOYBFZAVSO-ZHNHMRJKSA-N
|
| SMILES |
C=C[C@H](C)[C@]1([H])CC[C@](COC)([C@@]1([H])C(=O)[C@@]2(C)CC[C@@H](C(C)C)[C@]2(C=C)O)OCOC
|
| Number of Atoms | 72 |
| Number of H-Bond Acceptors | 5 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 1 |
| XLogP | 4.4 |
