Spiro[3-cyclohexene-1,12a(2)-[1H-2,10a]ethanophenanthrene]-8a(2)-carboxylic acid, 4-[2-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)ethyl]-2a(2),3a(2),4a(2),4a(2)a,4a(2)b,5a(2),6a(2),7a(2),8a(2),8a(2)a,9a(2),10a(2)-dodecahydro-10a(2)-hydroxy-4a(2)b,8a(2)-dimethyl-11a(2)-oxo- | 168986-62-7

• 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: Spiro[3-cyclohexene-1,12a(2)-[1H-2,10a]ethanophenanthrene]-8a(2)-carboxylic acid, 4-[2-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)ethyl]-2a(2),3a(2),4a(2),4a(2)a,4a(2)b,5a(2),6a(2),7a(2),8a(2),8a(2)a,9a(2),10a(2)-dodecahydro-10a(2)-hydroxy-4a(2)b,8a(2)-dimethyl-11a(2)-oxo-
• 英文别名: 1-[2-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethyl]-2'-hydroxy-5',9'-dimethyl-15'-oxospiro[cyclohexene-4,14'-tetracyclo[11.2.1.01,10.04,9]hexadecane]-5'-carboxylic acid
• CAS: 168986-62-7
• 化学式: C₄₀H₆₀O₄
• 分子量: 604.9
• InChiKey: BYZNBEVZWXOYJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  44
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4