Bufa-4,20,22-trienolide, 6-(acetyloxy)-3-(beta-D-glucopyranosyloxy)-8,14-dihydroxy-, (3beta,6beta)- | 507-60-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: Bufa-4,20,22-trienolide, 6-(acetyloxy)-3-(beta-D-glucopyranosyloxy)-8,14-dihydroxy-, (3beta,6beta)-
• 英文别名: [8,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-yl] acetate
• CAS: 507-60-8
• 化学式: C₃₂H₄₄O₁₂
• 分子量: 620.7
• InChiKey: LSMIOFMZNVEEBR-UHFFFAOYSA-N

物化性质

• 熔点：
  168-170°
• 比旋光度：
  D20 -59 to -60° (methanol)
• 沸点：
  581.69°C (rough estimate)
• 密度：
  1.1882 (rough estimate)
• 颜色/状态：
  Long prisms from dilute methanol
• 溶解度：
  In water, 1.43X10+4 mg/L at 25 °C (est)
• 蒸汽压力：
  2.06X10-23 mm Hg at 25 °C (est)
• 旋光度：
  Specific optical rotation: -59 to -60 deg at 20 °C/D (methanol)
• 分解：
  When heated to decomposition it emits acrid smoke and irritating fumes.

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  44
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  192
• 氢给体数：
  6
• 氢受体数：
  12

安全信息

• 危险等级：
  6.1(a)
• 危险品标志：
  T+
• 安全说明：
  S36/37,S45
• 危险类别码：
  R28
• 包装等级：
  I
• 危险类别：
  6.1(a)
• 危险品运输编号：
  UN 2810

文献信息

• Methods and compositions for increasing the efficacy of biologically-active ingredients
  申请人：Windsor Brian J.

  公开号：US20060276339A1

  公开（公告）日：2006-12-07

  The invention provides methods and compositions for modulating the sensitivity of cells to cytotoxic compounds and other active agents. In accordance with the invention, compositions are provided comprising combinations of ectophosphatase inhibitors and active agents. Active agents include antibiotics, fungicides, herbicides, insecticides, chemotherapeutic agents, and plant growth regulators. By increasing the efficacy of active agents, the invention allows use of compositions with lowered concentrations of active ingredients.