CAS: 83725-24-0; (2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl (1R,2R,4As,6As,6Br,8Ar,10S,12Ar,12Br,14Bs)-1,10-Dihydroxy-1,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Octadecahydropicene-4A(2H)-Carboxylate

该化合物是一种以潜在生物活性特性而著称的自然来源的三叶杆状凝胶,以其潜在的生物活性特性而著称,该化合物将聚磷酸乙酸甘油与28位的乙-D-glucoprophicranosyl mothy结合起来,与非甘油基对口相比,其溶性与生物利用率有所提高,并增强了其溶性与生物利用率.已经研究过,研究过它可能具有的药理学影响,包括防炎,抗氧化剂和细胞毒性影响,因此对药用化学和药物发现感兴趣. 28位的凝胶还可能影响其代谢稳定性和组织分布. 其定义明确的结构使得研究应用中能够精确地定性和再生.

英文名称(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl (1R,2R,4As,6As,6Br,8Ar,10S,12Ar,12Br,14Bs)-1,10-Dihydroxy-1,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-Octadecahydropicene-4A(2H)-Carboxylate
中文名称28-O-β-D-吡喃葡萄糖果树酸酯
IUPAC名称(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1R,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylate
其它别名Pomolic Acid 28-O-Beta-D-Glucopyranosyl Ester; Pomolic Acid Beta-D-Glucopyranosyl Ester; Pomolicd-Glucopyranosylacid 28-O-Beta-Ester; Pomolic Acid β-D-Glucopyranosyl Ester; Urs-12-En-28-Oic Acid, 3,19-Dihydroxy-, β-D-Glucopyranosyl Ester, (3β)-; Pomolic Acid D β-D-Glucopyranosyl Ester; Pomolic Acid 28-O-β-D-Glucopyranosyl Ester; 28-O-β-D-Glucopyranosyl Pomolic Acid
CAS编号83725-24-0
MFCD编号:MFCD17214904
分子式:C36H58O9分子量:634.85
产品CID: 1825408
产品分类天然产物 → 萜类

相似结构搜索
InChIKey: RRIMLWHUVCZACL-HPUCWRFUSA-N
InChI=1S/C36H58O9/c1-19-10-15-36(30(42)45-29-27(41)26(40)25(39)21(18-37)44-29)17-16-33(5)20(28(36)35(19,7)43)8-9-23-32(4)13-12-24(38)31(2,3)22(32)11-14-34(23,33)6/h8,19,2
计算化学: 氢键受体数9.0氢键供体数6.0可旋转键数4.0

物理性质

沸点726.6±60.0 °C at 760 mmHg
闪点219.1±26.4 °C
密度1.3±0.1 g/cm3
PSA:156.91
LogP:3.4629
溶解性Soluble In Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,Etc.
外观形态白色粉末

MSDS等安全信息

危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation 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

Ilexside Ii

合成工艺路线路线简述

📜3-O-Sulfate Of 28-O-β-D-Glucopyranosyl Pomolic Acid置于吡啶体系中,用 1,4-二氧六环作为反应溶剂,化学反应 5.0H,以20 Mg的收率获得产物28-O-Beta-D-吡喃葡萄糖果树酸酯
参考文献:Triterpenoid Saponins Of Aquifoliaceous Plants. Viii. Ilexosides Xxix-Xxxii From The Leaves Of Ilex Rotunda Thunb.
标题:Triterpenoid Saponins Of Aquifoliaceous Plants. Viii. Ilexosides Xxix-Xxxii From The Leaves Of Ilex Rotunda Thunb.
摘要:从冬青的嫩叶中分离得到4个新的皂苷类化合物冬青皂苷xxix-Xxxii,以及已知的皂苷类化合物柄果皂苷,紫玉盘皂苷i,甜美皂苷f1和地肤子皂苷iva.这些化合物的结构通过光谱和化学方法得到确定.
DOI:10.1248/cpb.40.3138

海关参考信息

2901210000-乙烯
2901220000-丙烯
2905122000-异丙醇
2905143000-叔丁醇
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详情请参考：📖 海关编码查询和海关进出口税则

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实用工具

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合成参考文献

参考文献:10.1126/science.1174621
摘要:Lingwood D, Simons K. Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 01;327(5961):46–50. doi: 10.1126/science.1174621.