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 C15H22O3
Molecular Weight 250.33 g/mol
Exact Mass 250.1569 Da
InChI
InChI=1S/C15H22O3/c1-10-5-4-6-11(14(17)18-3)12-7-8-13(16)15(12,2)9-10/h5,11-12H,4,6-9H2,1-3H3/b10-5-/t11-,12+,15+/m0/s1
InChIKey
WKEQQQPTPXIXFJ-RPDWCJCGSA-N
SMILES
C/C/1=C/CC[C@@H]([C@@]2([H])CCC(=O)[C@]2(C)C1)C(=O)OC
Number of Atoms 40
Number of H-Bond Acceptors 3
Number of H-Bond Donors 0
Atoms in the Largest π-System 3
XLogP 1.8
Zoomed SVG