(25S)-5α-cholestane-3β,5,6β,15α,16β,26-hexaol | 130856-16-5

• 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: (25S)-5α-cholestane-3β,5,6β,15α,16β,26-hexaol
• 英文别名: (3S,5R,6R,8R,9S,10R,13R,14S,15R,16R,17R)-17-[(2R,6S)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,15,16-pentol
• CAS: 130856-16-5
• 化学式: C₂₇H₄₈O₆
• 分子量: 468.675
• InChiKey: CLNZRUHMYVMUAU-CRKBTTAASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  33
• 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：
  121
• 氢给体数：
  6
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  Sulfuric acid methyl ester (3S,5R,6R,8R,9S,10R,13R,14S,15R,16R,17R)-5,6,15,16-tetrahydroxy-17-((1R,5S)-6-hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester 以 1,4-二氧六环 、 吡啶 为溶剂， 反应 2.0h， 以5 mg的产率得到(25S)-5α-cholestane-3β,5,6β,15α,16β,26-hexaol
  参考文献：
  名称：

  Steroid compounds from the Pacific starfishesLuidia quinaria andDistolasterias elegans

  摘要：

  One new and four previously known steroid compounds were identified from the Pacific starfishes Luidia quinaria and Distolasterias elegans. The structure of the new steroid was established from spectral data and chemical correlations with other steroids such as 5 alpha-cholestane-3 beta,5,6 beta,15 alpha, 16 beta,26-hexaol 3-sulfate (1). The previously known compounds were identified as 5 alpha-cholestane-3 beta,5,6 beta,15 alpha,26-pentaol 15-sulfate (2) from Luidia quinaria and sodium (24S)-O-[beta-D-glucopyranosyl]-5 alpha-cholestane-3 beta, 6 alpha,8,15 beta,24-pentaol 6'-sulfate (3), sodium (24S)-5 alpha-cholestane-3 beta,6 alpha,8,15 beta,24-pentaol 24-sulfate (4), and sodium tornasterol A sulfate (5).

  DOI：

  10.1007/bf01433994

文献信息

• Bruno, Ines; Minale, Luigi; Riccio, Raffaele, Gazzetta Chimica Italiana, <hi>1990</hi>, vol. 120, # 7, p. 449 - 451
  作者：Bruno, Ines、Minale, Luigi、Riccio, Raffaele、Barre, Stephane La、Laurent, Dominique

  DOI：——

  日期：——