Citation:
CHEN Xue-Xiang, HUANG Jian-Xi, OU Yang-Wen, LIU Xiao-Juan, ZHOU Li-Ping, CAO Yong. Isolation and Crystal Structure of Ent-kaurane Diterpenes from Rubus corchorifolius L. f.[J]. Chinese Journal of Structural Chemistry,
2015, 34(3): 349-358.
doi:
10.14102/j.cnki.0254-5861.2011-0520
Isolation and Crystal Structure of Ent-kaurane Diterpenes from Rubus corchorifolius L. f.
摘要:
In this study, ent-Kaurane-3β,16β,17-triol (1) and ent-kaurane-2α,16β,17-triol (2), were isolated from the leaves of Rubus corchorifolius L. f. Their structures were elucidated based on extensive spectroscopic analysis. NMR experiments identified the two compounds and X-ray crystallographic analysis confirmed their crystal structures. The crystal of 1 belongs to monoclinic with space group P21 and a=10.7641(3), b=7.2789(3), c=11.7862(4)Å, β=95.275(3)°, V=919.55(6)Å3, Z=2, C20H34O4, Mr=322.49 g/mol, Dc=1.230 g/m3, F(000)=376, λ=1.54178Å, μ=0.661 mm-1, R=0.0319, and wR=0.0811 for 10889 observed reflections (I>2σ(I)). The crystal of 2 is classified as orthorhombic with space group P212121 and a=10.7641(3), b=12.72224(19), c=21.3929(3)Å, V=1748.94(4)Å3, Z=4, C20H34O4, Mr=322.47, Dc=1.225 Mg/m3 F(000)=712, λ=1.54184Å, μ=0.625 mm-1, R=0.0303 and wR=0.0759 for 10470 observed reflections (I>2σ(I)). Meanwhile, the compound revealed low inhibitory activities toward HepG2, MCF-7, and SCG-7901 cells.
English
Isolation and Crystal Structure of Ent-kaurane Diterpenes from Rubus corchorifolius L. f.
Abstract:
In this study, ent-Kaurane-3β,16β,17-triol (1) and ent-kaurane-2α,16β,17-triol (2), were isolated from the leaves of Rubus corchorifolius L. f. Their structures were elucidated based on extensive spectroscopic analysis. NMR experiments identified the two compounds and X-ray crystallographic analysis confirmed their crystal structures. The crystal of 1 belongs to monoclinic with space group P21 and a=10.7641(3), b=7.2789(3), c=11.7862(4)Å, β=95.275(3)°, V=919.55(6)Å3, Z=2, C20H34O4, Mr=322.49 g/mol, Dc=1.230 g/m3, F(000)=376, λ=1.54178Å, μ=0.661 mm-1, R=0.0319, and wR=0.0811 for 10889 observed reflections (I>2σ(I)). The crystal of 2 is classified as orthorhombic with space group P212121 and a=10.7641(3), b=12.72224(19), c=21.3929(3)Å, V=1748.94(4)Å3, Z=4, C20H34O4, Mr=322.47, Dc=1.225 Mg/m3 F(000)=712, λ=1.54184Å, μ=0.625 mm-1, R=0.0303 and wR=0.0759 for 10470 observed reflections (I>2σ(I)). Meanwhile, the compound revealed low inhibitory activities toward HepG2, MCF-7, and SCG-7901 cells.
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