Crystal and molecular structure of a new cyclopropane triterpene: passifloric acid methyl ester [methyl (22R,24S)-22,31-epoxy-1α,3β,24,31-tetrahydroxy-24-methyl-9,19-cyclo-9β-ianostan-28-oate]

Abstract

The crystal structure of the title compound, a new cyclopropane triterpene extracted from Passiflora edulis, has been determined by X-ray diffraction from diffractometer data and refined by least-squares to R 0.047 for 3078 reflections. Crystals are monoclinic, space group P2₁, a= 8.161(4), b= 25.472(8), c= 7.697(5)Å, β= 101.4(1)°, Z= 2. The ring fusions A–B and C–D are trans, while B–C is cis, ring C being in the boat conformation.