4β-acetoxy-5-hydroxy-5α-cholest-2-ene | 76026-08-9

• 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: 4β-acetoxy-5-hydroxy-5α-cholest-2-ene
• 英文别名: 5α-hydroxycholest-2-en-4β-yl acetate；acetic acid-(5-hydroxy-5α-cholesten-(2)-yl-(4β)-ester)；Essigsaeure-(5-hydroxy-5α-cholesten-(2)-yl-(4β)-ester)；(10R)-5t-Hydroxy-4c-acetoxy-10r.13c-dimethyl-17c-((R)-1.5-dimethyl-hexyl)-(8cH.9tH.14tH)-Δ²-tetradecahydro-1H-cyclopenta[a]phenanthren；4β-Acetoxy-5α-cholesten-(2)-ol-(5)
• CAS: 76026-08-9
• 化学式: C₂₉H₄₈O₃
• 分子量: 444.698
• InChiKey: GURGEYYQNITQQX-JMOFALFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.93
• 重原子数：
  32.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4β-acetoxy-5-hydroxy-5α-cholest-2-ene 在 吡啶 、 chromium(VI) oxide 、 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 、 silver carbonate 作用下， 以 四氯化碳 为溶剂， 反应 1.0h， 生成 4β-acetoxy-5α-hydroxycholest-1-en-3-one
  参考文献：
  名称：

  Glotter, Erwin; Zviely, Michael, Journal of the Chemical Society. Perkin transactions I, 1986, p. 327 - 332

  摘要：

  DOI：
• 作为产物：
  描述：

  1,4-胆固醇二烯-3-酮 在 氯仿 、 乙酸酐 作用下， 生成 4β-acetoxy-5-hydroxy-5α-cholest-2-ene
  参考文献：
  名称：

  Ozone Formation in California's San Joaquin Valley: A Critical Assessment of Modeling and Data Needs

  摘要：

  Data from the 1990 San Joaquin Valley Air Quality Study/Atmospheric Utility Signatures, Predictions, and Experiments (SJVAQS/AUSPEX) field program in California's San Joaquin Valley (SJV) suggest that both urban and rural areas would have difficulty meeting an 8-hr average O-3 standard of 80 ppb. A conceptual model of O-3 formation and accumulation in the SJV is formulated based on the chemical, meteorological, and tracer data from SJVAQS/AUSPEX. Two major phenomena appear to lead to high O-3 concentrations in the SJV: (1) transport of O-3 and precursors from upwind areas (primarily the San Francisco Bay Area, but also the Sacramento Valley) into the SJV, affecting the northern part of the valley, and (2) emissions of precursors, mixing, transport (including lon,orange transport), and atmospheric reactions within the SJV responsible for regional and urban-scale (e.g., downwind of Fresno and Bakersfield) distributions of O-3. Using this conceptual model, we then conduct a critical evaluation of the meteorological model and air quality model. Areas of model improvements and data needed to understand and properly simulate O-3 formation in the SJV are highlighted.

  DOI：

  10.1080/10473289.2000.10464140

文献信息

• Glotter, Erwin; Krinsky-Feibush, Pnina; Rabinsohn, Yechiel, Journal of the Chemical Society. Perkin transactions I, 1980, p. 1769 - 1772
  作者：Glotter, Erwin、Krinsky-Feibush, Pnina、Rabinsohn, Yechiel

  DOI：——

  日期：——