CAS: 114912-36-6; (4As,6As,6Br,8Ar,10S,12Ar,12Br,14Bs)-10-(((2S,3R,4S,5S)-4,5-Dihydroxy-3-(((2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)Tetrahydro-2H-Pyran-2-yl)Oxy)-6A,6B,9,9,12A-Pentamethyl-2-Methylene-1,3,4,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Octadecahydropicene-4A(2H)-Carboxylic Acid

该化合物是一个复杂的有机化合物,具有独特的结构特征,包括三叶管骨干和晶体细胞;该化合物属于自然产品类别,特别是以多种生物活动闻名的三叶杆菌;糖脂,如6-deoxy-L-mannopyranosyl和-L-1-arabinopyranotisyl,表明与生物系统可能发生相互作用,可能影响溶解性和生物利用率;3号位置的特定立体化学对其生物活动和与受体的互动至关重要;此外,该化合物可能具有各种药理特性,包括抗炎,抗微生物或抗癌效应,这些在三叶胃类中很常见;其化学文摘社编号为114912-36,可以精确地识别化学数据库,便利医药化学和药用药剂学等领域的研究和应用;总体而言,该复合物是进一步调查其潜在治疗用途的重要领域.

英文名称(4As,6As,6Br,8Ar,10S,12Ar,12Br,14Bs)-10-(((2S,3R,4S,5S)-4,5-Dihydroxy-3-(((2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)Tetrahydro-2H-Pyran-2-yl)Oxy)-6A,6B,9,9,12A-Pentamethyl-2-Methylene-1,3,4,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Octadecahydropicene-4A(2H)-Carboxylic Acid
中文名称刺五加皂苷 E
IUPAC名称(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(((2S,3R,4S,5S)-4,5-dihydroxy-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6a,6b,9,9,12a-pentamethyl-2-methylene-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
其它别名Ciwujianoside E; (3Beta)-3-[[2-O-(6-Deoxy-Alpha-L-Mannopyranosyl)-Alpha-L-Arabinopyranosyl]Oxy]-30-Noroleana-12,20(29)-Dien-28-Oic Acid; Guaianin A; 30-Noroleana-12,20(29)-Dien-28-Oicacid, 3-[[2-O-(6-Deoxy-A-L-Mannopyranosyl)-A-L-Arabinopyranosyl]Oxy]-, (3B)- (9Ci); 30-Noroleana-12,20(29)-Dien-28-Oic Acid, 3-[[2-O-(6-Deoxy-α-L-Mannopyranosyl)-α-L-Arabinopyranosyl]Oxy]-, (3β)-
CAS编号114912-36-6
分子式:C40H62O11分子量:718.92
产品CID: 183218
产品分类生物化工 → 提取物 → 植物提取物

相似结构搜索
InChIKey: AGKHJTRNGBZWDZ-CUZSZSPKSA-N
InChI=1S/C40H62O11/c1-20-10-15-40(35(46)47)17-16-38(6)22(23(40)18-20)8-9-26-37(5)13-12-27(36(3,4)25(37)11-14-39(26,38)7)50-34-32(29(43)24(41)19-48-34)51-33-31(45)30(44)28
计算化学: 氢键受体数11.0氢键供体数6.0可旋转键数5.0

MSDS等安全信息

危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
防范说明P264+P280+P305+P351+P338+P337+P313
安全声明H303+H313+H333

上下游产品

2ciwujianoside C2L-arabinose L-Rhamnose

合成工艺路线路线简述

合成目标产物 Ciwujianoside E 主要起始原料 30-Noroleana-12,20(29)-Dien-28-Oicacid, 3-[[2-O-(6-Deoxy-A-L-Mannopyranosyl)-A-L-Arabinopyranosyl]Oxy]-, O-6-Deoxy-A-L-Mannopyranosyl-(1(R)4)-O-6-O-Acetyl-B-D-Glucopyranosyl-(1(R)6)-B-D-Glucopyranosyl Ester, (3B)-
(文献来源)合成步骤主要原料 30-Noroleana-12,20(29)-Dien-28-Oicacid, 3-[[2-O-(6-Deoxy-A-L-Mannopyranosyl)-A-L-Arabinopyranosyl]Oxy]-, O-6-Deoxy-A-L-Mannopyranosyl-(1(R)4)-O-6-O-Acetyl-B-D-Glucopyranosyl-(1(R)6)-B-D-Glucopyranosyl Ester, (3B)-

📜Ciwujianoside C2置于2,6-二甲基吡啶,Lithium Iodide体系中,用甲醇用作溶剂,以28 Mg的收率获得刺五加皂苷 E
参考文献:Shao,Chun-Jie; Kasai,Ryoji; Xu,Jing-Da,Chemical And Pharmaceutical Bulletin,1988,Vol. 36,# 2,P. 601-608
标题:Shao,Chun-Jie; Kasai,Ryoji; Xu,Jing-Da,Chemical And Pharmaceutical Bulletin,1988,Vol. 36,# 2,P. 601-608