5α-hydroxy-6β-acetoxy-5α-cholestane | 14150-21-1

• 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: 5α-hydroxy-6β-acetoxy-5α-cholestane
• 英文别名: cholestan-5α-hydroxy-6β-acetate；6β-acetoxy-5α-cholestan-5-ol；(10R)-5t-Hydroxy-6c-acetoxy-10r.13c-dimethyl-17c-((R)-1.5-dimethyl-hexyl)-(8cH.9tH.14tH)-hexadecahydro-1H-cyclopenta[a]phenanthren；Essigsaeure-(5-hydroxy-5α-cholestanyl-(6β)-ester)；6β-Acetoxy-5α-hydroxy-cholestan；6β-Acetoxy-cholestan-5α-ol；[(5R,6R,8S,9S,10R,13R,14S,17R)-5-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl] acetate
• CAS: 14150-21-1
• 化学式: C₂₉H₅₀O₃
• 分子量: 446.714
• InChiKey: MMJJMEZNUVBJTN-LUHWYJFMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.15
• 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：
  0.97
• 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：

  5α-hydroxy-6β-acetoxy-5α-cholestane 在 硫酸 、 乙酸酐 、 溶剂黄146 作用下， 生成 5β-Methyl-19-nor-Δ¹⁽¹⁰⁾-6β-acetoxy-cholesten
  参考文献：
  名称：

  Reactions of 5α-hydroxy stereoids—VII

  摘要：

  DOI：

  10.1016/s0040-4020(01)83296-8
• 作为产物：
  描述：

  5α,6α-epoxycholestane 生成 5α-hydroxy-6β-acetoxy-5α-cholestane
  参考文献：
  名称：

  SHAFIULLAH;ANSARI, M. R.;HUSAIN, S.;SIDDIQUI, I. H., J. INDIAN CHEM. SOC., 67,(1990) N2, C. 970-972

  摘要：

  DOI：

文献信息

• REDUCTION OF PYRIDYL CARBINOLS WITH SODIUM BOROHYDRIDE/TRIFLUOROACETIC ACID
  作者：Charles F. Nutaitis、Thomas J. Greshock、Stephen R. Houghton、Lynn N. Moran、Melissa A. Walter

  DOI：10.1080/00304940209356774

  日期：2002.6

  the synthesis of diand triheteroarylmethanes from carbinols possessing thiophene, furan, benzothiophene, benzofuran, or phenyl substituents, and in 1997 to the reduction of 1,3-azole and 1,3-benzazole carbinols provided there was an additional aryl or pi-excessive heteroaryl (thienyl, benzo[b]thienyl, furyl, or benzo[b]furyl) substituent.3 Carbinols possessing a 1,3-azole or 1,3-benzazole ligand and

  1977 年，Gribble 和同事报告说，可以用硼氢化钠/三氟乙酸有效地还原二芳基甲醇和三芳基甲醇，得到相应的二芳基甲烷和三芳基甲烷。1991 年，Nutaitis 和同事 2 将这种方法扩展到从具有噻吩、呋喃、苯并噻吩、苯并呋喃或苯基取代基的甲醇合成二和三杂芳基甲烷，并在 1997 年减少了提供的 1,3-唑和 1,3-苯并唑甲醇有一个额外的芳基或π-过量杂芳基（噻吩基、苯并[b] 噻吩基、呋喃基或苯并[b]呋喃基）取代基。3 具有 1,3-唑或 1,3-苯并唑配体的甲醇和仅一个额外的芳基或杂芳基取代基对还原呈惰性。以此类推，预计具有吡啶基取代基取代 1,3-唑/l 的化合物，3-苯并唑配体的行为类似。这种转化将证明是有用的，因为相应的 α-取代的吡啶基甲烷已被证明是有价值的杀真菌剂、“肝微粒体血红素加氧酶和细胞色素 P450 的诱导剂”、多种金属的提取剂，包括铬、6”金?h 锌、和钴、6d
• Evaluation of Time-Resolved PM_2.5 Data in Urban/Suburban Areas of New Jersey
  作者：Nares Chuersuwan、Barbara J. Turpin、Charles Pietarinen

  DOI：10.1080/10473289.2000.10464214

  日期：2000.10

  Time-resolved data is needed for public notification of unhealthful air quality and to develop an understanding of atmospheric chemistry, including insights important to control strategies. In this research, continuous fine particulate matter (PM) mass concentrations were measured with tapered element oscillating microbalances (TEOMs) across New Jersey from July 1997 to June 1998. Data features indicating the influence of local sources and long-distance transport are examined, as well, as differences between 1-hr maxima and 24-hr average concentrations that might be relevant to acute health effects. Continuous mass concentrations were not significantly different from filter-collected gravimetric mass concentrations with 95% confidence intervals during any season. Annual mean PM2.5 concentrations from July 1997 to June 1998 were 17.3, 16.4, 14.1, and 15.3 mug/m(3) at Newark, Elizabeth, New Brunswick, and Camden, NJ, respectively. Monthly averaged 24- and 1-hr daily maximum PM2.5 concentrations suggest the existence of a high PM2.5 (May-October) and a low PM2.5 (November-April) season.PM2.5 magnitudes and temporal trends were very similar across the state during high PM, events. In fact, the between-site coefficients of determination (R-2) for daily PM2.5 measurements were 84-98% for June and July. Additionally, during the most pronounced PM2.5 episode, PM2.5 concentrations closely tracked the daily maximum 1-hr O-3 concentrations. These observations suggest the importance of transport and atmospheric chemistry (i.e., secondary formation) to PM2.5 episodes in New Jersey The influence of local sources was observed in diurnal concentration profiles and annual average between-site differences. Urban wintertime data illustrate that high 1-hr maximum PM2.5 concentrations can occur on low 24-hr PM2.5 days.
• Jones et al., Journal of the Chemical Society, 1955, p. 2876,2883
  作者：Jones et al.

  DOI：——

  日期：——
• Shafiullah; Pathak, R. K., Journal of the Indian Chemical Society, 1988, vol. 65, p. 292 - 293
  作者：Shafiullah、Pathak, R. K.

  DOI：——

  日期：——
• Shafiullah; Ansari; Husain, Journal of the Indian Chemical Society, 1990, vol. 67, # 12, p. 970 - 972
  作者：Shafiullah、Ansari、Husain、Siddiqui

  DOI：——

  日期：——