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Crystal data

By Suchada Chantrapromma

Abstract

disorder in main residue; R factor = 0.095; wR factor = 0.169; data-to-parameter ratio = 15.5. The title compound {systematic name: 12-[(2E)-3,7-dimethyl-2,6-octadienyl]-5,8-dihydroxy-2,2-dimethyl-2H,6H-pyrano-[3,2-b]xanthen-6-one}, C30H32O6, has four fused rings (A/B/C/ D) and the xanthone ring system (A/B/C) is essentially planar, with dihedral angles of 1.85 (13) and 2.47 (13) , respectively, between rings A and B, and between rings B and C. The chromene ring D is in a sofa form. The geranyl side chain is axially attached to ring C with an ()-synclinal conformation. The 3-methyl-2-butenyl terminal of the geranyl side chain is disordered with the site-occupancy ratio of 0.513 (5):0.487 (5). The acetoxy group is attached axially to ring A with an (+)synclinal conformation. An intramolecular O—H O hydrogen bond involving the carbonyl and hydroxyl groups generates an S(6) ring motif. In the crystal, weak C—H O and C—H interactions, and – interactions with centroid–centroid distances of 3.6562 (16) and 3.6565 (16) A ˚ are observed. Related literature For hydrogen-bond motifs, see: Bernstein et al. (1995). For bond-length data, see: Allen et al. (1987). For ring conformations, see: Cremer & Pople (1975). For the bioactivity o

Topics: structures, see, for example, Boonnak et al. (2009, Kosela et
Year: 2009
OAI identifier: oai:CiteSeerX.psu:10.1.1.352.407
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