Abstract
The structure of the title diterpenoid, C20H28O3, {systematic name: (4bS,8aS)-3-hydroxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-1,4-dione} is confirmed [Eugster et al. (1993 ▶). Private communication (refcode HACGUN). CCDC, Union Road, Cambridge] and its packing is now described. Its absolute structure was established by refinement against data collected with Cu radiation: the two stereogenic centres both have S configurations. One cyclohexane ring adopts a chair conformation whereas the other cyclohexane ring is in a half-chair conformation and the benzoquinone ring is slightly twisted. An intramolecular O—H⋯O hydrogen bond generates an S(5) ring motif. In the crystal, molecules are linked into chains along [010] by O—H⋯O hydrogen bonds and weak C—H⋯O interactions. The packing also features C⋯O [3.131 (3) Å] short contacts.
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More From: Acta Crystallographica Section E Structure Reports Online
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