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 | C25H40O4 |
| Molecular Weight | 404.58 g/mol |
| Exact Mass | 404.2927 Da |
| InChI |
InChI=1S/C25H40O4/c1-9-18(5)20-12-14-25(15-27-7,29-16-28-8)22(20)23(26)24(6)13-11-19(17(3)4)21(24)10-2/h9-10,17-18,20,22H,1-2,11-16H2,3-8H3/t18-,20-,22+,24-,25-/m0/s1
|
| InChIKey |
TYPSZIGSEMATTG-PZLPAFFHSA-N
|
| SMILES |
C=C[C@H](C)[C@]1([H])CC[C@](COC)([C@@]1([H])C(=O)[C@@]2(C)CCC(=C2C=C)C(C)C)OCOC
|
| Number of Atoms | 69 |
| Number of H-Bond Acceptors | 4 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 4 |
| XLogP | 5.4 |
