A-Homo-24-nor-4-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid, 1-(acetyloxy)-4a-((acetyloxy)methyl)-12-((2-(acetyloxy)-3-methyl-1-oxopentyl)oxy)-21,23-epoxy-11-(formyloxy)-14-hydroxy-4a-methyl-3,15-dioxo-, methyl ester, (1alpha,4abeta,5beta,11beta,12alpha(2R,3R),13alpha,14beta,17alpha)- | 99615-90-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: A-Homo-24-nor-4-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid, 1-(acetyloxy)-4a-((acetyloxy)methyl)-12-((2-(acetyloxy)-3-methyl-1-oxopentyl)oxy)-21,23-epoxy-11-(formyloxy)-14-hydroxy-4a-methyl-3,15-dioxo-, methyl ester, (1alpha,4abeta,5beta,11beta,12alpha(2R,3R),13alpha,14beta,17alpha)-
• 英文别名: [6-[5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] 2-acetyloxy-3-methylpentanoate
• CAS: 99615-90-4
• 化学式: C₄₀H₅₂O₁₇
• 分子量: 804.8
• InChiKey: NIDUTZAIIODVCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  57
• 可旋转键数：
  19
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  235
• 氢给体数：
  1
• 氢受体数：
  17