10,13-Dimethyl-17-(6-methyl-5-oxoheptan-2-yl)-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one;10,13-dimethyl-17-(5-oxohexan-2-yl)-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one;10,13-dimethyl-17-(5-oxohexan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;10,14-dimethyl-15-[4-(2,3,3-trimethyloxiran-2-yl)butan-2-yl]-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-en-7-one

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 10,13-Dimethyl-17-(6-methyl-5-oxoheptan-2-yl)-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one;10,13-dimethyl-17-(5-oxohexan-2-yl)-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one;10,13-dimethyl-17-(5-oxohexan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;10,14-dimethyl-15-[4-(2,3,3-trimethyloxiran-2-yl)butan-2-yl]-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-en-7-one
• 英文别名: 10,13-dimethyl-17-(6-methyl-5-oxoheptan-2-yl)-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one;10,13-dimethyl-17-(5-oxohexan-2-yl)-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one;10,13-dimethyl-17-(5-oxohexan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;10,14-dimethyl-15-[4-(2,3,3-trimethyloxiran-2-yl)butan-2-yl]-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-en-7-one
• 化学式: C105H156O9
• 分子量: 1562.4
• InChiKey: WYNQBUVUTDLNPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  24.71
• 重原子数：
  114
• 可旋转键数：
  17
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  145
• 氢给体数：
  0
• 氢受体数：
  9