4-[3-[2-[(12,19-Diethoxy-6,13,21-trihydroxy-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)oxy]ethyl]hexoxy]-3-hydroxybenzaldehyde

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[3-[2-[(12,19-Diethoxy-6,13,21-trihydroxy-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)oxy]ethyl]hexoxy]-3-hydroxybenzaldehyde
• 英文别名: 4-[3-[2-[(12,19-diethoxy-6,13,21-trihydroxy-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaenyl)oxy]ethyl]hexoxy]-3-hydroxybenzaldehyde
• 化学式: C₄₀H₄₆O₉
• 分子量: 670.8
• InChiKey: IXCVZUKLAUNZII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  49
• 可旋转键数：
  15
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  135
• 氢给体数：
  4
• 氢受体数：
  9

文献信息

• FULLERENE-CONTAINING HEMICARCEPLEXES AND A METHOD OF PURIFYING FULLERENES BY USING THE SAME
  申请人：NATIONAL TAIWAN UNIVERSITY

  公开号：US20140187800A1

  公开（公告）日：2014-07-03

  Fullerene⊙CTV complexes, comprising fullerene⊙CTV hemicarceplexes, formed by various cyclotriveratrylene (CTV)-based molecular cages and various fullerene guests are disclosed. A method of direct isolating at least a fullerene from fullerene mixtures by using the above fullerene CTV hemicarceplexes but without using crystallization or HPLC is also disclosed.
• US8969594B2
  申请人：——

  公开号：US8969594B2

  公开（公告）日：2015-03-03