6-[5-Acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-3-(furan-3-yl)-4-(2-hydroxy-3-methylbutanoyl)oxy-3a-methyl-2-(2-methylbutanoyloxy)-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxirene-5-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 6-[5-Acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-3-(furan-3-yl)-4-(2-hydroxy-3-methylbutanoyl)oxy-3a-methyl-2-(2-methylbutanoyloxy)-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxirene-5-carboxylic acid
• 英文别名: 6-[5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-3-(furan-3-yl)-4-(2-hydroxy-3-methylbutanoyl)oxy-3a-methyl-2-(2-methylbutanoyloxy)-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxirene-5-carboxylic acid
• 化学式: C₄₂H₅₆O₁₇
• 分子量: 832.9
• InChiKey: ACJBWXHPMXQERX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  59
• 可旋转键数：
  19
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  241
• 氢给体数：
  2
• 氢受体数：
  17