(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'S,22'R,25'S)-2-[(2S)-butan-2-yl]-25'-hydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',23'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19,21-tetraoxapentacyclo[15.7.1.14,8.020,22.020,25]hexacosa-10,14,16,23-tetraene]-2'-one

• 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: (1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'S,22'R,25'S)-2-[(2S)-butan-2-yl]-25'-hydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',23'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19,21-tetraoxapentacyclo[15.7.1.14,8.020,22.020,25]hexacosa-10,14,16,23-tetraene]-2'-one
• 化学式: C₄₈H₇₀O₁₄
• 分子量: 871.1
• InChiKey: HDJCPBFZRIKULN-OOLDJQNFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  62
• 可旋转键数：
  8
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  162
• 氢给体数：
  2
• 氢受体数：
  14

文献信息

• MACROCYCLIC LACTONES AND USE THEREOF
  申请人：Ruiz Altaba Ariel

  公开号：US20140080779A1

  公开（公告）日：2014-03-20

  The present invention is directed to the use of macrocyclic lactones, in particular avermectins, in the treatment of conditions whose formation, occurrence, development or growth is associated with aberrant Wnt signalling in particular the treatment of colorectal cancer.
• US8969621B2
  申请人：——

  公开号：US8969621B2

  公开（公告）日：2015-03-03
• US9351988B2
  申请人：——

  公开号：US9351988B2

  公开（公告）日：2016-05-31