(1R,3S,5R,10R,16S,20S)-6-[1-hydroxy-2-[(11Z,14R,16S,19R,21S,22R,23R,25R)-22-hydroxy-25-[(E)-2-[(4S)-2-naphthalen-2-yl-1,3-dioxolan-4-yl]ethenyl]-2,7,15,20,24,30-hexaoxahexacyclo[17.13.0.03,16.06,14.021,31.023,29]dotriaconta-4,11,17,26-tetraen-8-yl]ethyl]-18-[(2S)-3-(4-hydroxyoxolan-2-yl)butan-2-yl]-6,10,15-trimethyl-2,7,13,19-tetraoxatetracyclo[10.9.0.03,8.014,20]henicosane-5,16,17-triol

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (1R,3S,5R,10R,16S,20S)-6-[1-hydroxy-2-[(11Z,14R,16S,19R,21S,22R,23R,25R)-22-hydroxy-25-[(E)-2-[(4S)-2-naphthalen-2-yl-1,3-dioxolan-4-yl]ethenyl]-2,7,15,20,24,30-hexaoxahexacyclo[17.13.0.03,16.06,14.021,31.023,29]dotriaconta-4,11,17,26-tetraen-8-yl]ethyl]-18-[(2S)-3-(4-hydroxyoxolan-2-yl)butan-2-yl]-6,10,15-trimethyl-2,7,13,19-tetraoxatetracyclo[10.9.0.03,8.014,20]henicosane-5,16,17-triol
• 化学式: C₇₁H₉₆O₁₉
• 分子量: 1253.5
• InChiKey: NCHBFLCUECHUDI-OPKHUDJESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  90
• 可旋转键数：
  9
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  241
• 氢给体数：
  6
• 氢受体数：
  19

文献信息

• METHOD OF SYNTHESIS OF CIGUATOXIN CTX1B AND COMPOUNDS USEFUL FOR THE SYNTHESIS OF CIGUATOXIN CTX1B
  申请人：Japan Science and Technology Agency

  公开号：EP1982988B1

  公开（公告）日：2014-06-04