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 C15H20O4
Molecular Weight 264.32 g/mol
Exact Mass 264.1362 Da
InChI
InChI=1S/C15H20O4/c1-14(2)7-6-10(16)15(3)11(19-15)5-4-9-8-12(14)18-13(9)17/h6-8,10-12,16H,4-5H2,1-3H3/b7-6+/t10-,11-,12-,15+/m0/s1
InChIKey
AHLYBCRXDVKDFN-FGITVGIASA-N
SMILES
CC1(C)/C=C/[C@@H]([C@]2(C)[C@H](CCC3=C[C@]1([H])OC3=O)O2)O
Number of Atoms 39
Number of H-Bond Acceptors 4
Number of H-Bond Donors 1
Atoms in the Largest π-System 5
XLogP 1.3
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