6H-7,11-Methenocyclopent[j]oxireno[e]oxacyclooctadecin-6-one, 1a,2,3,4,12,14,15,15a,18,18a-decahydro-10-hydroxy-4-(1-hydroxy-1-methylethyl)-1a,13,16-trimethyl-, (1aS,4S,16E,18aS)- | 869860-00-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: 6H-7,11-Methenocyclopent[j]oxireno[e]oxacyclooctadecin-6-one, 1a,2,3,4,12,14,15,15a,18,18a-decahydro-10-hydroxy-4-(1-hydroxy-1-methylethyl)-1a,13,16-trimethyl-, (1aS,4S,16E,18aS)-
• 英文别名: (8E,11S,13S,16S)-22-hydroxy-16-(2-hydroxypropan-2-yl)-4,8,13-trimethyl-12,17-dioxatetracyclo[17.3.1.03,7.011,13]tricosa-1(22),3,8,19(23),20-pentaen-18-one
• CAS: 869860-00-4
• 化学式: C₂₇H₃₆O₅
• 分子量: 440.6
• InChiKey: XHVNCHKVWKNRKD-FHCFCJHCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  32
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  79.3
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Compounds and Compositions Useful in the Treatment of Malaria
  申请人：Kubanek Julia M.

  公开号：US20110190338A1

  公开（公告）日：2011-08-04

  Provided herein compounds, compositions and methods useful for the treatment of malaria for a subject in need thereof, including compounds of Formula (I), Formula (II), Formula (III), Formula (IV), and Formula (V).