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 C7H10O3
Molecular Weight 142.15 g/mol
Exact Mass 142.0630 Da
InChI
InChI=1S/C7H10O3/c1-5(8)10-7-3-2-6(9)4-7/h2-3,6-7,9H,4H2,1H3/t6-,7+/m0/s1
InChIKey
IJDYOKVVRXZCFD-NKWVEPMBSA-N
SMILES
CC(=O)O[C@@H]1C=C[C@@H](C1)O
Number of Atoms 20
Number of H-Bond Acceptors 3
Number of H-Bond Donors 1
Atoms in the Largest π-System 3
XLogP 0.5
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