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 C6H8O3
Molecular Weight 128.13 g/mol
Exact Mass 128.0473 Da
InChI
InChI=1S/C6H8O3/c1-5(7)3-4-6(8)9-2/h3-4H,1-2H3/b4-3+
InChIKey
GLVNZYODMKSEPS-ONEGZZNKSA-N
SMILES
CC(=O)/C=C/C(=O)OC
Number of Atoms 17
Number of H-Bond Acceptors 3
Number of H-Bond Donors 0
Atoms in the Largest π-System 7
XLogP 0.2
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