[(3R,4S,5S,8S,9S,10S,11S,13S,14S,17R)-4,11-dihydroxy-10,13-dimethyl-17-[(1R)-5-methyl-1-(sulfooxymethyl)hexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

• 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: [(3R,4S,5S,8S,9S,10S,11S,13S,14S,17R)-4,11-dihydroxy-10,13-dimethyl-17-[(1R)-5-methyl-1-(sulfooxymethyl)hexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
• 英文别名: [(3R,4S,5S,8S,9S,10S,11S,13S,14S,17R)-4,11-dihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-1-sulfooxyheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
• 化学式: C₂₇H₄₈O₁₀S₂
• 分子量: 596.8
• InChiKey: LJWULEVZMGYCEI-HJBWBOOXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  184
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  [(3R,4S,5S,8S,9S,10S,11S,13S,14S,17R)-4,11-dihydroxy-10,13-dimethyl-17-[(1R)-5-methyl-1-(sulfooxymethyl)hexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate 生成 [(3R,4S,5S,8S,9S,10S,13S,14S,17R)-4-hydroxy-10,13-dimethyl-17-[(2R)-6-methyl-1-sulfooxyheptan-2-yl]-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
  参考文献：
  名称：

  DAURIA, M. VALERIA;RICCIO, RAFFAELE;MINALE, LUIGI;LA, BARRE STEPHANE;PUSS+, J. ORG. CHEM., 52,(1987) N 18, 3947-3952

  摘要：

  DOI：

文献信息

• DAURIA, M. VALERIA;RICCIO, RAFFAELE;MINALE, LUIGI;LA, BARRE STEPHANE;PUSS+, J. ORG. CHEM., 52,(1987) N 18, 3947-3952
  作者：DAURIA, M. VALERIA、RICCIO, RAFFAELE、MINALE, LUIGI、LA, BARRE STEPHANE、PUSS+

  DOI：——

  日期：——