5.6β-dichloro-5α-stigmastanol-(3β) | 102053-45-2

• 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: 5.6β-dichloro-5α-stigmastanol-(3β)
• 英文别名: (10R)-5t.6c-Dichlor-3c-hydroxy-10r.13c-dimethyl-17c-((1R:4R)-1.5-dimethyl-4-aethyl-hexyl)-(8cH.9tH.14tH)-hexadecahydro-1H-cyclopenta[a]phenanthren；5.6β-Dichlor-3β-hydroxy-10.13-dimethyl-17β-((1R:4R)-1.5-dimethyl-4-aethyl-hexyl)-5α-gonan；5.6β-Dichlor-24α_F-aethyl-5α-cholestanol-(3β)；(24R)-5.6β-Dichlor-24-aethyl-5α-cholestanol-(3β)；5.6β-Dichlor-5α-stigmastanol-(3β)；(3S,5R,6R,8S,9S,10R,13R,14S,17R)-5,6-dichloro-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
• CAS: 102053-45-2
• 化学式: C₂₉H₅₀Cl₂O
• 分子量: 485.621
• InChiKey: LSRSKMJKBSHGOH-METNKUIYSA-N

物化性质

• 沸点：
  543.3±40.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氢氧化钾 作用下， 生成 5.6β-dichloro-5α-stigmastanol-(3β)
  参考文献：
  名称：

  Berg; Wallis, Journal of Biological Chemistry, 1946, vol. 162, p. 683,692

  摘要：

  DOI：

文献信息

• Stereoselective chlorination of steroidal 5,6-Olefin by an electrochemical method; A convenient synthesis of blattelastanoside B
  作者：Shojiro Maki、Katsuhiro Konno、Shigeru Ohba、Hiroaki Takayama

  DOI：10.1016/s0040-4039(98)00538-3

  日期：1998.5

  Stereoselective chlorination of cholesterol (1) was achieved by an electrochemical method to give a dichloride 2 and a cholohydrin 3. Using this procedure, blattelastanoside B (6), an aggregation pheromone of the German cockroach, was synthesized from beta-sitosterol (5) in short steps. (C) 1998 Elsevier Science Ltd. All rights reserved.