5α-cholestane-3β,6α-diol diacetate | 3514-28-1

• 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-cholestane-3β,6α-diol diacetate
• 英文别名: 3β,6α-diacetoxy-5α-cholestane；3β,6α-Diacetoxy-5α-cholestan；(10R)-3c.6t-Diacetoxy-10r.13c-dimethyl-17c-((R)-1.5-dimethyl-hexyl)-(5tH.8cH.9tH.14tH)-hexadecahydro-1H-cyclopenta[a]phenanthren；5α-Cholestandiyl-(3β.6α)-diacetat；5α-Cholestan-diol-(3β,6α)-diacetat；5α-Cholestan-3β,6α-diol diacetat；5alpha-Cholestane-3beta,6alpha-diol, diacetate；[(3S,5S,6S,8S,9S,10R,13R,14S,17R)-6-acetyloxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
• CAS: 3514-28-1
• 化学式: C₃₁H₅₂O₄
• 分子量: 488.751
• InChiKey: CCNIYQVWQJGGBH-KSODNVKCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5α-cholestane-3β,6α-diol diacetate 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 6α-羟基-5α-胆甾烷
  参考文献：
  名称：

  关于氢化三正丁基锡的欺骗行为：在某些溴代醇的乙酸盐还原中。立体定向的彻底重排

  摘要：

  用Bu 3 SnH对乙酸溴代醇7进行自由基氢解令人惊奇地导致6α-乙酰氧基衍生物8而不是预期的产物6。讨论了这种立体有规重排的结构要求。同位素标记表明，与较早的观察结果相反，重排以1,2-转移的方式进行，其中涉及乙酰氧基的醚氧（21→22）。

  DOI：

  10.1016/s0040-4039(00)84300-2
• 作为产物：
  描述：

  cholesterol 生成 5α-cholestane-3β,6α-diol diacetate
  参考文献：
  名称：

  The Hydration of Unsaturated Steroids by the Brown Hydroboration Reaction. I. Monounsaturated Steroids

  摘要：

  DOI：

  10.1021/jo01028a032

文献信息

• Reductions of steroidal halohydrins and their esters by tri-n.butyltin hydride; some stereospecific 1.2-migrations of acetoxy- or benzoxy-groups
  作者：Sylvestre A. Julia、Robert Lorne

  DOI：10.1016/s0040-4020(01)88052-2

  日期：1986.1

  bearing hydroxy-, acetoxy- or benzoxy-groups in the 3β and 4β or 3β and 6β positions, , , , , , and have been hydrogenolysed with the title reagent to afford the corresponding reduced derivatives. The reduction of 4α-chloro-5β-cholestane-3β, 5-diol 3-benzoate () and 3α-chloro-5α-cholestan-2β-ol acetate gave also the products of simple hydrogenolysis.

  六5α氯和一种5α溴胆甾烷衍生物轴承羟基，乙酰氧基或苯甲酰氧基的基团在3β和4β或3β和6β位置，，，，，和已被氢解，与标题试剂，得到相应的还原导数。4α-氯-5β-胆甾烷-3β，5-二醇3-苯甲酸酯（）和3α-氯-5α-胆甾烷-2β-醇乙酸酯的还原也产生了简单的氢解产物。
• Hourly Personal Exposures to Fine Particles and Gaseous Pollutants—Results from Baltimore, Maryland
  作者：Li-Te Chang、Petros Koutrakis、Paul J. Catalano、Helen H. Suh

  DOI：10.1080/10473289.2000.10464151

  日期：2000.7

  A study to characterize 1-hr multi-pollutant exposures was performed in Baltimore, MD, during the summer of 1998 and the winter of 1999, and was conducted over a 15-day period in each of the two seasons. Personal exposures were measured by a trained field technician, who wore a newly developed Roll-Around System (RAS) to measure 1-hr PM2.5 and gaseous (CO, O-3, NO2, SO2, volatile organic compounds [VOCs]) exposures. One-hour O-3, NO2, and SO2 personal exposures were measured using samplers developed in our laboratory, while short-term PM2.5 CO, and VOCs exposures were measured using currently available monitors. All 1-hr multi-pollutant exposures were measured while the technician performed pre-determined activities, beginning at 7:00 a.m, and ending at 7:00 p.m. of the same day. Activities were scripted to simulate activities performed by older adults (65+ years of age). Corresponding 1-hr ambient pollutant concentrations were obtained from federal or state monitoring networks.In this paper, we discuss the results from our study and present our descriptive analysis of the 1-hr personal particulate and gaseous exposure data. Personal PM2.5, O-3, CO, and VOCs exposures showed substantial variability over the 12-hr sampling periods. Multiple pairwise comparison tests showed that 1-hr personal O-3 exposures were significantly lower in indoor microenvironments as compared with outdoor microenvironments. One-hour personal CO exposures measured in vehicles were significantly higher than those measured in other microenvironments. The associations between 1-hr personal exposures and corresponding ambient concentrations differed by pollutant and by microenvironment. For example, the correlation between personal PM2.5 exposures and ambient concentrations was lowest (r = 0.36, p < 0.05) in the winter for indoor non-residential microenvironments, and was highest (r = 0.90, p < 0.05) in the winter for in-vehicle microenvironments. For O-3, the correlation between personal exposures and ambient levels was weakest in the winter for residential microenvironments (r = 0.05, p > 0.05), and was strongest in the summer for outdoor near-roadway microenvironments (r(s) = 0.91, p < 0.05).
• Specialized generalists: constraints on host range in some plusiine caterpillars
  作者：R. Tune、D. E. Dussourd

  DOI：10.1007/pl00008859

  日期：2000.6.16

  Insects that feed on plants with secretory canals often cut trenches across leaves, thereby depressurizing the canals and eliminating exudation at their distal feeding site. We compared the trenching ability of three species of polyphagous plusiines (Lepidoptera: Noctuidae) and tested if trenching scores correlate with larval growth. The three plusiines (Trichoplusia ni, Pseudoplusia includens, and Rachiplusia oil) were each tested on prickly lettuce, Lactuca serriola (Asteraceae), which has latex canals, and on Italian parsley, Petroselinum crispum (Apiaceae) with oil ducts. To ascertain how secretory canals affect performance, larvae were tested on intact leaves and on excised leaves with depleted canals. T. ni larvae cut trenches in both plant species, whereas P. includens only trenched prickly lettuce and R. ou only trenched Italian parsley. Intact leaves of Italian parsley were acceptable to all three species. Trenching varied in T. ni and R. ou, but did not correlate significantly with larval growth. In contrast, trenching was required for feeding on intact prickly lettuce. Final-instar T. ni all cut trenches and developed rapidly. P. includens varied in trenching and performance; their trenching scores correlated with growth. R. ou larvae did not trench or feed even though most R. oil on intact Italian parsley cut at least partial trenches. All three plusiine species developed rapidly on excised leaves of both plant species, documenting the suitability of these plants when canals are inactivated. Our results: document the efficacy of latex canals as a plant defense and suggest that trenching ability alone does not permit feeding. Larvae must also recognize the need to trench and must tolerate deterrent exudates during the trenching procedure.
• �ber Steroide und Sexualhormone. (106. Mitteilung). �ber die Konfiguration der beiden Cholesterin-oxyde und des ?trans?-Cholestantriols-(3 ?, 5, 6)
  作者：Pl. A. Plattner、W. Lang

  DOI：10.1002/hlca.194402701238

  日期：——
• 204. The structure of the cactus sterol, peniocerol (cholest-8-ene-3β,6α-diol)
  作者：Carl Djerassi、R. D. H. Murray、R. Villotti

  DOI：10.1039/jr9650001160

  日期：——