CAS: 18842-99-4; (1S,4As,5R,7As)-5-Hydroxy-7-(Hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-1,4A,5,7A-Tetrahydrocyclopenta[c]Pyran-4-Carboxylic Acid

• 英文名称(1S,4As,5R,7As)-5-Hydroxy-7-(Hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-yl)Oxy)-1,4A,5,7A-Tetrahydrocyclopenta[c]Pyran-4-Carboxylic Acid
• 中文名称去乙酰车叶草苷酸
• IUPAC名称(1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
• 其它别名Deacetylasperulosidicacid; (1R,4Ar,5S,7Ar)-5-Hydroxy-7-(Hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-1,4A,5,7A-Tetrahydrocyclopenta[c]Pyran-4-Carboxylic Acid; Scandoside; (1S)-1α-(β-D-Glucopyranosyloxy)-1,4Aα,5,7Aα-Tetrahydro-5β-Hydroxy-7-(Hydroxymethyl)Cyclopenta[c]Pyran-4-Carboxylic Acid; (1S)-1α-(β-D-Glucopyranosyloxy)-1,4Aα,5,7Aα-Tetrahydro-5β-Hydroxy-7-Hydroxymethylcyclopenta[c]Pyran-4-Carboxylic Acid; (1S)-1α-(β-D-Glucopyranosyloxy)-5β-Hydroxy-7-(Hydroxymethyl)-1,4Aα,5,7Aα-Tetrahydrocyclopenta[c]Pyran-4-Carboxylic Acid; (1S)-7-(Hydroxymethyl)-1α-(β-D-Glucopyranosyloxy)-1,4Aα,5,7Aα-Tetrahydro-5β-Hydroxycyclopenta[c]Pyran-4-Carboxylic Acid; (1S,4As,5R,7As)-1-(Beta-D-Glucopyranosyloxy)-5-Hydroxy-7-(Hydroxymethyl)-1,4A,5,7A-Tetrahydrocyclopenta[c]Pyran-4-Carboxylic Acid
• CAS编号18842-99-4
• MFCD编号:MFCD31725909
• 分子式:C16H22O11分子量:390.34
• 产品CID: 956104
• 产品分类有机原料 → 羧酸类化合物及衍生物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: ZVXWFPTVHBWJOU-AWQYILTISA-N
• InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)/t7-,8-,9-,10+,11-,12+,13-,15+,16+/m1/
• 计算化学: 氢键受体数11.0氢键供体数7.0可旋转键数5.0

物理性质

• 熔点139-143 °C
• 沸点744.1±60.0 °C(预测)
• 闪点271.741 °C
• 密度1.73±0.1 g/cm3(预测)
• pKa:4.34±0.70(预测)
• PSA:186.37
• LogP:-3.3467
• 折射率1.683
• 蒸汽压0 mmHg at 25 °C
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末
• 储存条件Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• 产品应用该化合物是天然的抗炎剂,抑制了LPS 诱发的RAW 264.7大型植物体中的NF-B和MAPK信号路径; 扫描面通过诱发骨质疏松和导致人类癌症细胞细胞链细胞循环阻断,显示出严重的抗癌效应; 具体地说,发现它抑制了各种癌症细胞线的扩散,包括乳房,肺部和肝源的细胞; 行动机制包括调节与细胞生存和扩散相关的关键信号路径,如对亲食性蛋白质的监管升级和对反吸食蛋白的调低调. 此外,扫描面显示在G1阶段阻止了细胞循环,进一步助长了其抗生素效应. 这些发现表明,扫描场作为治疗癌症的潜在治疗剂,值得在临床环境中进一步调查.

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• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905310000-1,2-乙二醇
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