α-zeralanol | 1164477-32-0

• 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: α-zeralanol
• 英文别名: 7R-3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one；(7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one；(8R)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
• CAS: 1164477-32-0
• 化学式: C₁₈H₂₆O₅
• 分子量: 322.401
• InChiKey: DWTTZBARDOXEAM-TYZXPVIJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  87
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• Method for separation of 3S,7R-3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one from its 3S,7S-diastereomer
  申请人：C.R.C. Compagnia di Ricerca Chimica S.p.A.

  公开号：EP0248916A1

  公开（公告）日：1987-12-16

  A method for the separation of 3S,7R-3,4,5,6,7,8,9,10,11,12-­decahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-­1-one from its 3S,7S-diastereomer is disclosed. In said method a mixture of the two diastereomers is dissolved in a solvent, the resulting solution is applied to a high pressure liquid chromato­graph comprising a reverse-phase column, the two diastereomers are eluted with a mixture of polar solvents and the diastereomers are separately recovered.

  本发明公开了一种从 3S,7S-非对映异构体中分离 3S,7R-3,4,5,6,7,8,9,10,11,12-十氢-7,14,16-三羟基-3-甲基-1H-2-苯并氧杂环十四烷-1-酮的方法。在该方法中，将两种非对映异构体的混合物溶解在溶剂中，将所得溶液应用于包含反相柱的高压液相色谱仪，用极性溶剂混合物洗脱两种非对映异构体，然后分别回收非对映异构体。