(20R,22R)-6α,25-dihydroxy-2β,3β:20,22-bis(isopropylidenedioxy)-5α-cholest-8(14)-ene | 1121527-63-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (20R,22R)-6α,25-dihydroxy-2β,3β:20,22-bis(isopropylidenedioxy)-5α-cholest-8(14)-ene
• 英文别名: (20R,22R)-2β,3β:20,22-bis(isopropylidenedioxy)-5α-cholest-8(14)-ene-6α,25-diol；(2I(2),3I(2),5I+/-,6I+/-,22R)-2,3:20,22-Bis[(1-methylethylidene)bis(oxy)]cholest-8(14)-ene-6,25-diol；(1R,2R,4S,8R,10S,11S,17S,18R)-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,6,6,18-tetramethyl-5,7-dioxapentacyclo[11.7.0.02,10.04,8.014,18]icos-13-en-11-ol
• CAS: 1121527-63-6
• 化学式: C₃₃H₅₄O₆
• 分子量: 546.788
• InChiKey: FVYFPZIPYFDUDF-ARVUPFSTSA-N

物化性质

• 熔点：
  88-90 °C
• 沸点：
  612.6±55.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.27
• 重原子数：
  39.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  77.38
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  (20R,22R)-2β,3β,6α,25-tetrahydroxy-20,22-isopropylidenedioxy-5α-cholest-8(14)-ene 、 丙酮 在 phosphomolybdic acid 作用下， 以86%的产率得到(20R,22R)-6α,25-dihydroxy-2β,3β:20,22-bis(isopropylidenedioxy)-5α-cholest-8(14)-ene
  参考文献：
  名称：

  Stereospecific reduction of 6-oxo group and hydogenolysis of 14-hydroxy group in 20-hydroxyecdysone 20,22-acetonide at treating with sodium in liquid ammonia

  摘要：

  DOI：

  10.1134/s1070428007100284

文献信息

• Analogs of ecdysteroids with a tetrasubstituted Δ8,14-bond
  作者：V. N. Odinokov、R. V. Shafikov、R. G. Savchenko、S. R. Afon’kina、I. V. Galyautdinov、L. M. Khalilov、A. S. Shashkov

  DOI：10.1134/s1070428008050059

  日期：2008.5

  By hydrogenation of (20R,22R)-6 alpha,14 alpha,25-trihydroxy-and (20R,22R)-6 beta,14 alpha,25-trihydroxy-2,3:20,22-bis(isopropylidenedioxy)-5 alpha-cholest-7-enes on a catalyst (Raney nickel) the corresponding (5 alpha,6 alpha)-and (5 beta,6 beta)-epimers of previously unknown Delta(8,14)-6-hydroxy derivatives of ecdysteroids were synthesized.