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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>17</sub>H<sub>26</sub>O<sub>2</sub>S

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Extracted from

Scheme 3

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₇H₂₆O₂S
Molecular Weight	294.45 g/mol
Exact Mass	294.1653 Da
InChI	InChI=1S/C17H26O2S/c1-11-6-7-12(15(19)20-16(2,3)4)13-8-9-14(18)17(13,5)10-11/h6,12-13H,7-10H2,1-5H3/t12-,13-,17-/m1/s1
InChIKey	MDSMGVVQTHLPOB-PBFPGSCMSA-N
SMILES	CC1=CC[C@H]([C@@]2([H])CCC(=O)[C@]2(C)C1)C(=O)SC(C)(C)C
Number of Atoms	46
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	2
XLogP	2.7

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