5β-Cholestane-3,6-dione | 22799-16-2

• 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: 5β-Cholestane-3,6-dione
• 英文别名: 5β-cholestanedione-(3,6)；5β-Cholestandion-(3,6)；5β-Cholestan-3,6-dion；Cholestan-3,6-dion；5beta-Cholestane-3,6-dione；(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
• CAS: 22799-16-2
• 化学式: C₂₇H₄₄O₂
• 分子量: 400.645
• InChiKey: LNGLEOIUQBVRRY-XYLRQVFISA-N

物化性质

• 熔点：
  174-177 °C
• 沸点：
  499.2±28.0 °C(Predicted)
• 密度：
  0.996±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5β-Cholestane-3,6-dione 在 氯仿 、 氢溴酸 、 溴 、 溶剂黄146 作用下， 生成 2α,7α-dibromocholest-4-ene-3,6-dione
  参考文献：
  名称：

  Butenandt; Schramm; Kudszus, Justus Liebigs Annalen der Chemie, 1937, vol. 531, p. 176,198

  摘要：

  DOI：
• 作为产物：
  描述：

  cholesterol 在 chromium(VI) oxide 、 氢氧化钾 、 溶剂黄146 作用下， 生成 5β-Cholestane-3,6-dione
  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

• Characterization of Fine Particulate Matter Produced by Combustion of Residual Fuel Oil
  作者：Gerald P. Huffman、Frank E. Huggins、Naresh Shah、Robert Huggins、William P. Linak、C. Andrew Miller、Ronald J. Pugmire、Henk L.C. Meuzelaar、Mohindar S. Seehra、A. Manivannan

  DOI：10.1080/10473289.2000.10464157

  日期：2000.7

  the S spectra established that the dominant molecular forms of S present were sulfate (26-84% of total S) and thiophene (13-39% of total S). Sulfate was greater in the PM2.5 samples than in the PM2.5+ samples. Inorganic sulfides and elemental sulfur were present in lower percentages. The Ni XANES spectra from all of the samples agreed fairly well with that of NiSO4, while most of the V spectra closely

  在732千瓦的锅炉中对四种不同的残留燃油进行了燃烧实验。通过旋风分离器将空气中的PM排放物样品空气分离成标称直径小于和大于2.5微米的馏分。但是，通过计算机控制的扫描电子显微镜（CCSEM）检查了几个样品，发现PM2.5部分的一部分由碳质空心球和直径最大为10微米的囊泡颗粒组成。在S，V，Ni，Fe，Cu，Zn和As K边缘以及Pb L边缘获得X射线吸收精细结构（XAFS）光谱数据。对S光谱的X射线吸收近边缘结构（XANES）区域进行反卷积，可以确定S的主要分子形式是硫酸盐（占总S的26-84％）和噻吩（占总S的13-39％）。PM2.5样品中的硫酸盐含量大于PM2.5 +样品中的硫酸盐含量。无机硫化物和元素硫的含量较低。所有样品的Ni XANES光谱与NiSO4的光谱非常吻合，而大多数V光谱与硫酸氧钒（VO.SO4.xH2O）的光谱非常相似。研究的其他金属（例如，Fe，Cu，Zn和Pb）也主要以硫酸盐形式存在。砷以砷（As
• Simple NMR Determination of 5α/5β Configuration of 3-Oxosteroids
  作者：Hana Chodounská、Miloš Buděšínský、Romana Šídová、Miroslav Šíša、Alexander Kasal、Ladislav Kohout

  DOI：10.1135/cccc20011529

  日期：——

  A simple method to distinguish the 5α- from the 5β-isomers of 3-oxosteroids based on low-frequency ¹H NMR spectra was proposed. Additional ¹H and ¹³C NMR characteristics were derived from the comparison of completely assigned spectra of the 5α- and 5β-isomers. The effect of substitution at different positions of steroid skeleton was evaluated on a series of isomeric 3-oxosteroids, prepared for this purpose.

  提出了一种简单的方法，基于低频1H NMR光谱来区分3-氧甾体的5α-和5β-异构体。通过比较完全分配的5α-和5β-异构体的光谱，得出了额外的1H和13C NMR特征。评估了在类固醇骨架不同位置进行取代对一系列为此目的准备的异构体3-氧甾体的影响。
• Windaus, Chemische Berichte, 1906, vol. 39, p. 2249,2250
  作者：Windaus

  DOI：——

  日期：——
• 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).
• Schuetz; Meyer; Kraetzer, Arzneimittel-Forschung/Drug Research, 1969, vol. 19, # 1, p. 69 - 75
  作者：Schuetz、Meyer、Kraetzer

  DOI：——

  日期：——