5β-methyl-19-norcholest-9(10)-ene-3β,6β-diol 3,6-diacetate | 2572-56-7

• 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-methyl-19-norcholest-9(10)-ene-3β,6β-diol 3,6-diacetate
• 英文别名: 3β,6β-diacetoxy-5-methyl-19-nor-5β-cholest-9-ene；3β,6β-Diacetoxy-5-methyl-19-nor-5β-cholest-9-en；(5R)-3c.6c-Diacetoxy-5r.13c-dimethyl-17c-((R)-1.5-dimethyl-hexyl)-(8cH.14tH)-Δ⁹-tetradecahydro-1H-cyclopenta[a]phenanthren；3β.6β-Diacetoxy-5-methyl-19-nor-5β-cholesten-(9)；19-Nor-5β-methyl-Δ⁹⁽¹⁰⁾-cholesten-3β,6β-diol-diacetat (Westphalen-)；3β,6β-Diacetoxy-5β-methyl-19-nor-Δ⁹-cholesten；3beta,6beta-Diacetoxy-5beta-methyl-19-norcholest-9(10)-ene；[(3S,5R,6R,8S,13R,14S,17R)-6-acetyloxy-5,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
• CAS: 2572-56-7
• 化学式: C₃₁H₅₀O₄
• 分子量: 486.736
• InChiKey: BRCZWIHTKRDUFE-LQVKLLJQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.87
• 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：

  5β-methyl-19-norcholest-9(10)-ene-3β,6β-diol 3,6-diacetate 在 过氧化氢苯甲酰 、 氯仿 、 过碘酸 作用下， 生成 3β,6β-diacetoxy-5-methyl-19-nor-5β-cholesten-(9(11))-ol-(10)
  参考文献：
  名称：

  420.类固醇和相关化合物。第十四部分。5β-甲基-19-norcoprost-9（10）-烯-3β：6β：-二醇

  摘要：

  DOI：

  10.1039/jr9520002246
• 作为产物：
  描述：

  cholesterol 在 硫酸 、 双氧水 、 溶剂黄146 作用下， 生成 5β-methyl-19-norcholest-9(10)-ene-3β,6β-diol 3,6-diacetate
  参考文献：
  名称：

  On the estimation of 'an implicitly additive demand system'

  摘要：

  Motivated by a lack of Engel flexibility in commonly used demand systems, Rimmer and Powell developed a new demand system. This system, referred to AIDADS, is implicitly, directly additive, possesses marginal budget shares and thus Engel elasticities, that vary nonlinearly with expenditure such that predicted budget shares are restricted to the [0,1] interval. Due to these attractive Engel properties, AIDADS represents a significant contribution to the literature on demand analysis. This paper presents an alternative estimation procedure to the one used by Rimmer and Powell and examines its properties via a case study. The proposed approach avoids a linear approximation employed in Rimmer and Powell's estimation framework. Based on a small Monte Carlo study, it appears that the approach produces more accurate estimates of the parameters and Engel elasticities.

  DOI：

  10.1080/00036840050155832

文献信息

• The kinetic effects of substituted benzoates on the Westphalen rearrangement
  作者：D.N. Kirk

  DOI：10.1016/0040-4020(75)80172-4

  日期：1975.1

  The rate of the Westphalen rearrangement of 3β,6β-disubstituted 5α-cholestan-5-ols is influenced by substituted benzoates at the 6β position in a manner which can be correlated with Hammett substituent constants (σ), giving a reaction constant (ρ) of −0·35.

  3β，6β-二取代的5α-胆甾烷-5-醇的Westphalen重排速率受6β位置上的取代苯甲酸酯影响，其影响方式可与哈米特取代基常数（σ）相关，从而得到反应常数（ρ）为-0·35。
• Oxidation of Olefins with Benzeneseleninic Anhydride in the Presence of TMSOTf
  作者：Izabella Jastrzębska、Maja Morawiak、Joanna E. Rode、Barbara Seroka、Leszek Siergiejczyk、Jacek W. Morzycki

  DOI：10.1021/acs.joc.5b00410

  日期：2015.6.19

  been shown that different products are formed with this species depending on the specific structure of olefin. The 1,1-disubstituted olefins afforded mostly α,β-unsaturated carbonyl compounds. The sterically encumbered tri- or tetrasubstituted olefins yielded 1,2- or 1,4-dihydroxylated products, presumably via four-membered cyclic intermediates.

  研究了一种新的烯烃氧化体系，该体系由苯硒酸酐和三甲基甲硅烷基三氟甲磺酸酯组成。推测在这些条件下形成了高反应性的苯硒烯基阳离子。已经表明，取决于烯烃的具体结构，与该物质形成不同的产物。1，1-二取代的烯烃主要提供α，β-不饱和羰基化合物。在空间上受阻的三或四取代的烯烃产生了1,2-或1,4-二羟基化的产物，大概是通过四元环状中间体。
• Westphalen, Chemische Berichte, 1915, vol. 48, p. 1064,1066
  作者：Westphalen

  DOI：——

  日期：——
• 224. Steroids and related compounds. Part I. Isomeric cholestenediols
  作者：Vladimir A. Petrow

  DOI：10.1039/jr9370001077

  日期：——
• 212. Steroids and related compounds. Part III. The constitution of Westphalen's diol
  作者：Vladimir A. Petrow

  DOI：10.1039/jr9390000998

  日期：——