5α-bromo-6-ketocholestan-3β-yl acetate | 14956-20-8

• 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: 5α-bromo-6-ketocholestan-3β-yl acetate
• 英文别名: 5α-bromo-3β-acetoxycholestan-6-one；3β-acetoxy-5α-bromocholestan-6-one；6-Oxo-5α-bromocholestan-3β-yl acetate；5-Brom-3β-acetoxy-5α-cholestan-6-on；3β-acetoxy-5-bromo-5α-cholestan-6-one；3β-Acetoxy-5-brom-5α-cholestan-6-on；3b-Acetoxy-5-bromo-5a-cholestan-6-one；[(3S,5R,8S,9S,10R,13R,14S,17R)-5-bromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
• CAS: 14956-20-8
• 化学式: C₂₉H₄₇BrO₃
• 分子量: 523.594
• InChiKey: YSMYGJURSXWFES-FNUGKIMXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5α-bromo-6-ketocholestan-3β-yl acetate 在 乙醚 、 乙酸-D1 、 锌 作用下， 生成 3β-acetoxy-5-deuterio-5α-cholestan-6-one
  参考文献：
  名称：

  Stereoelectronic Control in Enolization-Ketonization Reactions¹

  摘要：

  DOI：

  10.1021/ja01605a013
• 作为产物：
  描述：

  3beta-乙酰氧基-5alpha-胆甾烷-6-酮 在 乙醚 、 氯仿 、 氢溴酸 、 溴 作用下， 生成 5α-bromo-6-ketocholestan-3β-yl acetate
  参考文献：
  名称：

  Willingness to pay for publicly-financed health care: how should we use the numbers?

  摘要：

  This paper addresses the question of how willingness to pay (WTP) values in health care evaluation can be used by policy makers. The way in which WTP values are used depends on from whom values are elicited and whether the good concerned is privately-financed or publicly-financed through taxation. Thus, four possible uses of WTP values are identified. The focus is on the two uses which arise in the publicly-financed situation. 'Conventional' use of WTP values, where the decision as to whether or not to provide a service depends upon whether or not WTP values are greater than total cost, applies only in the privately-financed, and not publicly-financed situations. The situations with publicly-financed goods are more complex. The use of WTP values for publicly-financed goods is justified and illustrated.

  DOI：

  10.1080/00036840050155940

文献信息

• STUDIES IN THE BROMINATION OF STEROID KETONES
  作者：LEWIS HASTINGS SARETT、PURNENDU NATH CHAKRAVORTY、EVERETT S. WALLIS

  DOI：10.1021/jo01193a003

  日期：1943.9
• Spectral and Stereochemical Studies with Deuterated Cyclohexanes¹
  作者：E. J. Corey、M. Gertrude Howell、Alma Boston、Richard L. Young、Richard A. Sneen

  DOI：10.1021/ja01600a063

  日期：1956.10
• Steroids. XXI. The Oxidation and Hypobromous Acid Addition of Steroids by Means of Isocyanur Bromide
  作者：Ken-ichi Morita

  DOI：10.1246/bcsj.31.347

  日期：1958.3
• Heilbron et al., Journal of the Chemical Society, 1938, p. 102,104
  作者：Heilbron et al.

  DOI：——

  日期：——
• Ueno, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1952, vol. 72, p. 1622,1624
  作者：Ueno

  DOI：——

  日期：——