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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>18</sub>O

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Extracted from

Scheme 1

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₃H₁₈O
Molecular Weight	190.28 g/mol
Exact Mass	190.1358 Da
InChI	InChI=1S/C13H18O/c1-3-5-6-8-11-9-10-13(14)12(11)7-4-2/h3-4H,1-2,5-10H2
InChIKey	BMZZTXSYQZCWPC-UHFFFAOYSA-N
SMILES	C=CCCCC1=C(CC=C)C(=O)CC1
Number of Atoms	32
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	4
XLogP	3.1

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