acetate d'ergosterol B₁ | 71242-49-4

• 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: acetate d'ergosterol B₁
• 英文别名: (3β,5α,17β,22E)-ergosta-8,14,22-trien-3-ol acetate；(3S,5S,10S, 13R,17R)-17-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,10,11,12,13,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate；3β-acetoxy-5α-ergosta-8,14,22t-triene；3β-Acetoxy-5α-ergosta-8,14,22t-trien；(10S)-3c-Acetoxy-10r.13c-dimethyl-17c-((1R:4R)-1.4.5-trimethyl-hexen-(2t)-yl)-(5tH)-Δ^8.14-dodecahydro-1H-cyclopenta[a]phenanthren；3β-Acetoxy-24β_F-methyl-5α-cholestatrien-(8.14.22t)；Essigsaeure-(5α-ergostatrien-(8.14.22t)-yl-(3β)-ester)；5α-Ergostatrien-(8.14.22t)-yl-(3β)-acetat；[(3S,5S,10S,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
• CAS: 71242-49-4
• 化学式: C₃₀H₄₆O₂
• 分子量: 438.694
• InChiKey: QZSOQOOFGQQOKW-UUZLTGRYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.05
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  acetate d'ergosterol B₁ 在 盐酸 、 溶剂黄146 、 铂 作用下， 生成 campestanyl acetate
  参考文献：
  名称：

  预测每日最高臭氧水平-I. 具有时间序列误差的回归模型具有一个主要成分触发来适合1991年的臭氧水平。

  摘要：

  这项研究的动机是需要在高臭氧日警告威斯康星州密尔沃基的人口。提出了每天1小时臭氧峰值水平的统计模型。具有时间序列误差的回归（RTSE）模型（包括一个主要成分（PC）触发器）是预测每天1小时峰值臭氧水平的基础。带有PC触发器的RTSE模型首先用于估算1991年臭氧季节在密尔沃基北部的威斯康星大学（UWM-N）测得的每日峰值臭氧。RTSE模型使用每日峰值温度，早晨矢量平均风向和PC触发作为预测变量。PC触发器旨在总结臭氧峰值大于十亿分之100（ppb）时的大气情况。经验证，带有PC触发器的RTSE模型，大大改善了每日峰值臭氧的预测，特别是峰值臭氧大于100 ppb的预测。与没有PC触发的RTSE模型相比，带有PC触发的RTSE模型将R2从0.680提升到0.809。建议使用PC触发的RTSE模型是适当的统计模型，具有实时臭氧预报的潜力。

  DOI：

  10.1080/10473289.2002.10470841
• 作为产物：
  描述：

  (3b,22E)-麦角甾-5,7,22-三烯-3b-醇 3-乙酸酯 在 二氧化硫 作用下， 生成 acetate d'ergosterol B₁
  参考文献：
  名称：

  Hudgell et al., Journal of the Chemical Society, 1954, p. 814

  摘要：

  DOI：

文献信息

• Two approaches to 14,15-secoergostane intermediates for the synthesis of strophasterols
  作者：Yuki Fukuda、Shuntaro Sato、Yusuke Ogura、Shigefumi Kuwahara

  DOI：10.1080/09168451.2018.1452603

  日期：2018.6.3

  Two protected 14,15-secoergostane derivatives suitable as pivotal intermediates for the synthesis of strophasterols A and B, anti-MRSA and neuronal cell-protecting natural products bearing a recently discovered strophastane skeleton, have been synthesized by two different routes. The first approach employed an oxidative cleavage of an α-hydroxy ketone intermediate with the Jones reagent as the key

  已经通过两种不同的途径合成了两种适合作为合成甾烷醇A和B，抗MRSA和带有最近发现的硬脂烷骨架的神经元细胞保护天然产物的关键中间体的被保护的14,15-二十二碳五烯锡衍生物。第一种方法是使用琼斯试剂对α-羟基酮中间体进行氧化裂解，这是关键步骤，需要十个步骤从麦角固醇中获得目标二十二碳四烯烷。在第二种方法中，由四个反应组成的前所未有的反应级联使我们能够通过六个步骤更高效地获得二十烷麦角锡烷。
• Bills, Cox, Journal of Biological Chemistry, 1929, vol. 84, p. 455,457
  作者：Bills, Cox

  DOI：——

  日期：——
• CCCLXXIX.—Studies in the sterol group. Part VIII. The reactions of isoergosterol
  作者：Isidor Morris Heilbron、Frank Stuart Spring

  DOI：10.1039/jr9290002807

  日期：——
• Guiteras; Nakamiya; Inhoffen, Justus Liebigs Annalen der Chemie, 1932, vol. 494, p. 116,122
  作者：Guiteras、Nakamiya、Inhoffen

  DOI：——

  日期：——
• The Role of Radial Clearance on the Performance of Foil Air Bearings
  作者：Kevin Radil、Samuel Howard、Brian Dykas

  DOI：10.1080/10402000208982578

  日期：2002.1

  Load capacity tests were conducted to determine how radial clearance variations affect the load capacity coefficient of foil air bearings. Two Generation III foil air bearings with the same design but possessing different initial radial clearances were tested at room temperature against an as-ground PS304 coated journal operating at 30000 rpm. Increases in radial clearance were accomplished by reducing the journal's outside diameter via an in-place grinding system. Front each load capacity test the bearing load capacity coefficient was calculated from the rule-of-thumb (ROT) model developed for foil air bearings.The test results indicate that, in terms of the load capacity coefficient, radial clearance has a direct impact on the performance of the foil air bearing. Each test bearing exhibited an optimum radial clearance that resulted in a maximum load capacity coefficient. Relative to this optimum value are two separate operating regimes that are governed by different modes of failure. Bearings operating with radial clearances less than the optimum exhibit load capacity coefficients that are a strong function of radial clearance and are prone to a thermal runaway failure mechanism and bearing seizure. Conversely, a bearing operating with a radial clearance m,ice the optimum suffered only a 20% decline in its maximum load capacity coefficient and did not experience any thermal management problems. However, it is unknown to what degree these changes in radial clearance had on other performance parameters, such (is the stiffness and damping properties of the bearings.