5β-cholestan-3α-ol acetate | 33157-47-0

• 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-cholestan-3α-ol acetate
• 英文别名: acetic acid-(5β-cholestan-3α-yl ester)；Essigsaeure-(5β-cholestan-3α-ylester)；3α-Acetoxy-5β-cholestan；5β-Cholestanyl-(3α)-acetat；(10S)-3t-Acetoxy-10r.13c-dimethyl-17c-((R)-1.5-dimethyl-hexyl)-(5cH.8cH.9tH.14tH)-hexadecahydro-1H-cyclopenta[a]phenanthren；3alpha-Acetoxy-5beta-cholestane；[(3R,5R,8R,9S,10S,13R,14S,17R)-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: 33157-47-0
• 化学式: C₂₉H₅₀O₂
• 分子量: 430.715
• InChiKey: PHLIUSDPFOUISN-NWIOFUPMSA-N

物化性质

• 熔点：
  86-86.5 °C
• 沸点：
  446.3±13.0 °C(Predicted)
• 密度：
  0.98±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5β-cholestan-3α-ol acetate 在 chromium(VI) oxide 、 溶剂黄146 作用下， 生成 还原胆烷醇酮
  参考文献：
  名称：

  聚萜烯和聚萜烯XCI。用于制备coprosterol，epi-coprosterol和epi-dihydro-cholesterol。有助于了解甾醇中羟基的空间位置

  摘要：

  DOI：

  10.1002/hlca.193401701171
• 作为产物：
  描述：

  cholesterol 在 乙醚 、 乙醇 、 铂 、 copper(II) oxide 作用下， 生成 5β-cholestan-3α-ol acetate
  参考文献：
  名称：

  聚萜烯和聚萜烯XCI。用于制备coprosterol，epi-coprosterol和epi-dihydro-cholesterol。有助于了解甾醇中羟基的空间位置

  摘要：

  DOI：

  10.1002/hlca.193401701171

文献信息

• Efficient method for inversion of secondary alcohols by reaction of chloromethanesulfonates with cesium acetate
  作者：Takeshi Shimizu、Sayoko Hiranuma、Tadashi Nakata

  DOI：10.1016/0040-4039(96)01333-0

  日期：1996.8

  Inversion of a variety of secondary alcohols using the (chloromethylsulfonyl)oxy group as a favorable leaving group with cesium acetate in the presence of 18-crown-6 has been performed to give the inverted acetates in high yields.

  已经进行了使用（氯甲基磺酰基）氧基作为有利的离去基团在18-冠-6存在下用乙酸铯转化各种仲醇的方法，从而以高收率得到了转化的乙酸酯。
• A highly regio- and stereoselective C5 oxyfunctionalization of coprostane steroids by dioxiranes: An improved access to progestogen and androgen hormones.
  作者：Paolo Bovicelli、Augusto Gambacorta、Paolo Lupattelli、Enrico Mincione

  DOI：10.1016/s0040-4039(00)60202-2

  日期：1992.11

  Coprostane steroids are selectively oxyfunctionalized at C5 by dimethyldioxirane and methyltrifluoromethyldioxirane to give useful intermediates for bioactive compounds.

  Coprostane类固醇被二甲基二环氧乙烷和甲基三氟甲基二环氧乙烷在C 5选择性地氧官能化，以提供有用的生物活性化合物中间体。
• Full-Scale Evaluation of Mercury Control with Sorbent Injection and COHPAC at Alabama Power E.C. Gaston
  作者：C. Jean Bustard、Michael Durham、Charles Lindsey、Travis Starns、Ken Baldrey、Cameron Martin、Richard Schlager、Sharon Sjostrom、Rick Slye、Scott Renninger、Larry Monroe、Richard Miller、Ramsay Chang

  DOI：10.1080/10473289.2002.10470832

  日期：2002.8

  The overall objective of this project was to determine the cost and impacts of leg control using sorbent injection into a Compact Hybrid Particulate Collector (COHPAC) at Alabama Power's Gaston Unit 3. This test is part of a program funded by the U.S. Department of Energy's National Energy Technology Laboratory (NETL) to obtain the necessary information to assess the costs of controlling Hg from coal-fired utility plants that do not have scrubbers for SO2 control. The economics will be developed based on various levels of Hg control.Gaston Unit 3 was chosen for testing because COHPAC represents a cost-effective retrofit option for utilities with existing electrostatic precipitators (ESPs). COHPAC is an EPRI-patented concept that places a high air-to-cloth ratio baghouse downstream of an existing ESP to improve overall particulate collection efficiency. Activated carbons were injected upstream of COHPAC and downstream of the ESP to obtain performance and operational data.Results were very encouraging, with up to 90% removal of Hg for short operating periods using powdered activated carbon (PAC). During the long-term tests, an average Hg removal efficiency of 78% was measured. The PAC injection rate for the long-term tests was chosen to maintain COHPAC cleaning frequency at less than 1.5 pulses/bag/hr.
• Shoppee et al., Journal of the Chemical Society, 1957, p. 3107,3108, 3110
  作者：Shoppee et al.

  DOI：——

  日期：——
• Steroids. Part IX. The catalytic hydrogenation of 3α-substituted Δ⁵-steroids
  作者：J. R. Lewis、C. W. Shoppee

  DOI：10.1039/jr9550001365

  日期：——