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 C20H32O2
Molecular Weight 304.47 g/mol
Exact Mass 304.2402 Da
InChI
InChI=1S/C20H32O2/c1-13(2)16-9-11-20(5)10-8-15(4)19(22)18(21)12-14(3)6-7-17(16)20/h8,13-14,16-17H,6-7,9-12H2,1-5H3/b15-8+/t14-,16+,17-,20-/m0/s1
InChIKey
KRXRWHXGSUETBX-GGGDOAPKSA-N
SMILES
CC(C)[C@H]1CC[C@]2(C)C/C=C(\C)/C(=O)C(=O)C[C@@H](C)CC[C@@]12[H]
Number of Atoms 54
Number of H-Bond Acceptors 2
Number of H-Bond Donors 0
Atoms in the Largest π-System 6
XLogP 6.8
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