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Isolation and Crystal Structure of 3β-acetoxy-20 (29)-lupen-28-aldehyde from the Bark of Platanus Acerifolia Willd

Isolation and Crystal Structure of 3β-acetoxy-20 (29)-lupen-28-aldehyde from the Bark of Platanus Acerifolia Willd
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摘要 The title compound,3β-acetoxy-20(29)-lupen-28-aldehyde,is a pentacyclic triterpene which was first isolated from the acetyl acetate fraction of Platanus acerifolia Willd bark and characterized by 1 H-NMR and 13 C-NMR.Besides,the crystal of the compound was acquired,and the relative configuration of 3β-acetoxy-20(29)-lupen-28-aldehyde was determined by single-crystal X-ray diffraction analysis for the first time.It crystallizes in the monoclinic system,space group C2 with a=14.428(3),b=6.6620(13),c=30.399(6),β=103.73(3)°,Z=4,C32 H50 O3,M r=482.72,Dc =1.130 g/cm 3,V=2838.5(10)3,μ(MoKa)=0.070 mm-1,F(000)= 1064,the final R=0.0657 and wR=0.1855 for 2839 independent reflections (R int=0.0802)and 1963 observed ones (I〉2(I)).Intramolecular van der waals force contributes to the stability of the structure. The title compound,3β-acetoxy-20(29)-lupen-28-aldehyde,is a pentacyclic triterpene which was first isolated from the acetyl acetate fraction of Platanus acerifolia Willd bark and characterized by 1 H-NMR and 13 C-NMR.Besides,the crystal of the compound was acquired,and the relative configuration of 3β-acetoxy-20(29)-lupen-28-aldehyde was determined by single-crystal X-ray diffraction analysis for the first time.It crystallizes in the monoclinic system,space group C2 with a=14.428(3),b=6.6620(13),c=30.399(6),β=103.73(3)°,Z=4,C32 H50 O3,M r=482.72,Dc =1.130 g/cm 3,V=2838.5(10)3,μ(MoKa)=0.070 mm-1,F(000)= 1064,the final R=0.0657 and wR=0.1855 for 2839 independent reflections (R int=0.0802)and 1963 observed ones (I〉2(I)).Intramolecular van der waals force contributes to the stability of the structure.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2012年第8期1140-1144,共5页 结构化学(英文)
基金 supported by Independent Research Program (cultivation for National Natural Science Foundation of China) of Nanjing University of Science and Technology (No. 2010GJPY009)
关键词 platanus acerifolia willd bark 3β-acetoxy-20(29)-lupen-28-aldehyde single-crystal X-ray structure crystal structure platanus acerifolia willd bark; 3β-acetoxy-20(29)-lupen-28-aldehyde; single-crystal X-ray structure; crystal structure
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