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 C13H17IO2
Molecular Weight 332.18 g/mol
Exact Mass 332.0273 Da
InChI
InChI=1S/C13H17IO2/c1-4-11(13(2,3)8-9-14)16-12(15)10-6-5-7-10/h4,6,8-9,11H,1,5,7H2,2-3H3/b9-8+/t11-/m0/s1
InChIKey
JPROFKOGDDIJPX-FBOQAHMBSA-N
SMILES
C=C[C@@H](C(C)(C)/C=C/I)OC(=O)C1=CCC1
Number of Atoms 33
Number of H-Bond Acceptors 2
Number of H-Bond Donors 0
Atoms in the Largest π-System 5
XLogP 3.8
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