Molecular structure of Lantadene-B&C, triterpenoids of antana camara, red variety: Lantadene-B, 22β-angeloyloxy-3-oxoolean-12-en-28-oic acid; Lantadene-C, 22 β-(S)-2′-methyl butanoyloxy-3-oxoolean-12-en-28-oic acid

Abstract

(I)Lantadene-B: C35H52O5, Mr=552.80, Monoclinic C2, a=25.65(1), b=6.819(9), c=18.75(1) Å, β=100.61(9), V=3223(5) Å3, Z=4, Dx=1.14 g cm-3 Cu Kα (λ=1.5418A), μ=5.5 cm-1, F(000)=1208, R=0.118, wR=0.132 for 1527 observed reflections with Fo≥2σ(Fo). (II)Lantadene-C: C35H54O5·CH3OH, Mr=586.85, Monoclinic, P21, a=9.822(3), b=10.909(3), c=16.120(8)Å, β=99.82(4), V=1702(1)Å3, Z=2, Dx=1.145 g cm-3, Mo Kα (λ=0.7107Å), μ=0.708 cm-1F(000)=644, R=0.098, w R=0.094 for 1073 observed reflections. The rings A, B, C, D, and E are trans, trans, trans, cis fused and are in chair, chair, sofa, half-chair, chair conformations, respectively, in both the structures. In the unit cell the molecules are stabilized by O-H⋯O hydrogen bonds in both the structures, however an additional C-H⋯O interaction is observed in the case of Lantadene-C. © 1993 Plenum Publishing Corporation.