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Isolation and Crystal Structure of Ent-kaurane Diterpenes from Rubus corchorifolius L. f. 被引量:1

Isolation and Crystal Structure of Ent-kaurane Diterpenes from Rubus corchorifolius L. f.
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摘要 In this study, ent-Kaurane-3β,16β,17-trioi (1) and ent-kaurane-2a,16β,17-triol (2), were isolated from the leaves ofRubus 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) A, β = 95.275(3)°, V = 919.55(6) A3, Z = 2, C20H34O4, Mr = 322.49 g/mol, Dc = 1.230 g/m3, F(000) = 376, 2 = 1.54178 A,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) A, V= 1748.94(4) A3, Z= 4, C20H3404, Mr = 322.47, De = 1.225 Mg/m3 F(000) = 712, λ = 1.54184 A,μ = 0.625 mm-1, R = 0.0303 and wR = 0.0759 for 10470 observed reflections (1〉 2σ(I)). Meanwhile, the compound revealed low inhibitory activities toward HepG2, MCF-7, and SCG-7901 cells. In this study, ent-Kaurane-3β,16β,17-trioi (1) and ent-kaurane-2a,16β,17-triol (2), were isolated from the leaves ofRubus 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) A, β = 95.275(3)°, V = 919.55(6) A3, Z = 2, C20H34O4, Mr = 322.49 g/mol, Dc = 1.230 g/m3, F(000) = 376, 2 = 1.54178 A,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) A, V= 1748.94(4) A3, Z= 4, C20H3404, Mr = 322.47, De = 1.225 Mg/m3 F(000) = 712, λ = 1.54184 A,μ = 0.625 mm-1, R = 0.0303 and wR = 0.0759 for 10470 observed reflections (1〉 2σ(I)). Meanwhile, the compound revealed low inhibitory activities toward HepG2, MCF-7, and SCG-7901 cells.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第3期349-358,共10页 结构化学(英文)
基金 financially supported by the National Science and Technology Pillar Program during the Twelfth Five-year Plan Period(2012BAK17B00) the Doctoral Program of Higher Education,China(No.20114404120022) the Agricultural Science and Technology Planned Projects of Guangzhou,China(No.2012A020602038)
关键词 Rubus corchorifolius L. f. ent-kaurane diterpenes X-ray single-crystal structure Rubus corchorifolius L. f., ent-kaurane diterpenes, X-ray single-crystal structure,
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