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
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Chemical structure [C<sub>20</sub>H<sub>33</sub>]<sup>+</sup>

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Scheme 52

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula [C20H33]+
Molecular Weight 273.48 g/mol
Exact Mass 273.2582 Da
InChI
InChI=1S/C20H33/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h7,13,16-19H,6,8-12H2,1-5H3/q+1/b14-7-/t16-,17+,18-,19-,20+/m0/s1
InChIKey
YXIDKXAWSCOMTJ-CRAXNAEHSA-N
SMILES
CC(C)[C@@H]1CC[C@]2(C)C([H])[C@@]3([H])[C+](C)CC[C@]3([H])/C(=C\C[C@@]12[H])/C
Number of Atoms 53
Number of H-Bond Acceptors 0
Number of H-Bond Donors 0
Atoms in the Largest π-System 2
XLogP 9.2
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