(5R,8S,11R,13S,14S,17S)-11-[4-hydroxyphenyl]-5′,5′,13-trimethyl-17-(pentafluoroethyl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2′-[1,3]dioxane]-5,17(4H)-diol | 1262017-12-8

• 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: (5R,8S,11R,13S,14S,17S)-11-[4-hydroxyphenyl]-5′,5′,13-trimethyl-17-(pentafluoroethyl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2′-[1,3]dioxane]-5,17(4H)-diol
• 英文别名: (5R,8S,11R,13S,14S,17S)-11-(4-hydroxyphenyl)-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-5,17(4H)-diol；3,3-[2,2-Dimethyl-1,3-propanediylbis(oxy)]-17α-(1,1,2,2,2-pentafluoroethyl)-11β-(4-hydroxyphenyl)-5α-estr-9-ene-5,17β-diol；(5R,8S,11R,13S,14S,17S)-11-[4-(benzyloxy)phenyl]-5,5,13-trimethyl-17-(pentafluoroethyl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]-5,17(4H)-diol；(5R,8S,11R,13S,14S,17S)-11-(4-hydroxyphenyl)-5,17-dihydroxy-5',5',13-trimethyl-17-(pentafluoroethyl)-1,2,3,4,6,7,8,11,12,13,14,15,16,17-tetradecahydro-spiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxane]；(5'R,8'S,11'R,13'S,14'S,17'S)-11'-(4-hydroxyphenyl)-5,5,13'-trimethyl-17'-(1,1,2,2,2-pentafluoroethyl)spiro[1,3-dioxane-2,3'-2,4,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-5',17'-diol
• CAS: 1262017-12-8
• 化学式: C₃₁H₃₉F₅O₅
• 分子量: 586.64
• InChiKey: OSQDSCKVNPZTCP-LHQFNUPJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  41
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  79.2
• 氢给体数：
  3
• 氢受体数：
  10