Abstract
The title compound (also known as phragmalin triacetate), C35H42O14, is a phragmalin-type limonoid extracted from X. rumphii. The molecule consists of eight rings with the orthoacetate group bridged at positions 1, 8 and 9. The two five-carbocyclic rings (A 1 and A 2) and the dioxolane ring (G) adopt a distorted envelope conformation. The 1,3-dioxane ring (E) exists in a chair conformation. The six-carbocyclic rings (B and C) exhibit a twisted-boat conformation. The lactone ring has a half-chair conformation and the furan ring is planar (r.m.s. deviation = 0.002 Å). Rings A 1/B, A 2/B, B/C, C/D and C/G are all cis-fused. The two acetoxy groups attached to ring B and the furan ring attached to the lactone ring are in equatorial positions. The porous crystal packing exhibits voids of 688 Å3 and weak intermolecular C—H⋯O interactions. The absolute configuration was assigned on the basis of literature data.
Highlights
The title compound, C35H42O14, is a phragmalin-type limonoid extracted from X
The molecule consists of eight rings with the orthoacetate group bridged at positions 1, 8 and 9
The two acetoxy groups attached to ring B and the furan ring attached to the lactone ring are in equatorial positions
Summary
R factor = 0.046; wR factor = 0.130; data-to-parameter ratio = 9.4. The molecule consists of eight rings with the orthoacetate group bridged at positions 1, 8 and 9. The two five-carbocyclic rings (A1 and A2) and the dioxolane ring (G). The 1,3-dioxane ring (E) exists in a chair conformation. The six-carbocyclic rings (B and C) exhibit a twisted-boat conformation. The lactone ring has a half-chair conformation and the furan ring is planar (r.m.s. deviation = 0.002 Å). The two acetoxy groups attached to ring B and the furan ring attached to the lactone ring are in equatorial positions. The porous crystal packing exhibits voids of 688 Å3 and weak intermolecular C—H O interactions. The absolute configuration was assigned on the basis of literature data
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