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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>13</sub>H<sub>20</sub>O

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Extracted from

Scheme 48

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₃H₂₀O
Molecular Weight	192.30 g/mol
Exact Mass	192.1514 Da
InChI	InChI=1S/C13H20O/c1-13(2)8-10-5-3-4-6-12(14)7-11(10)9-13/h3,5,10-11H,4,6-9H2,1-2H3/b5-3-/t10-,11+/m1/s1
InChIKey	SFEWACDIXOEJLJ-ZSZRGSJWSA-N
SMILES	CC1(C)C[C@@]2([H])/C=C\CCC(=O)C[C@@]2([H])C1
Number of Atoms	34
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	2
XLogP	3.9

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