(1'S,3a'S,6a'S,6b'S,12a'R,12b'S)-1'-hydroxy-1',2',5',6',6a',6b',7',9',11',12',12a',12b'-dodecahydro-3'H-dispiro[[1,3]dioxolane-2,4'-[1,3a]methanonaphtho[2,1-e]azulene-10',2''-[1,3]dioxolan]-3'-one | 201467-31-4

• 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: (1'S,3a'S,6a'S,6b'S,12a'R,12b'S)-1'-hydroxy-1',2',5',6',6a',6b',7',9',11',12',12a',12b'-dodecahydro-3'H-dispiro[[1,3]dioxolane-2,4'-[1,3a]methanonaphtho[2,1-e]azulene-10',2''-[1,3]dioxolan]-3'-one
• CAS: 201467-31-4
• 化学式: C₂₃H₃₀O₆
• 分子量: 402.488
• InChiKey: GWTWHGIXSFERHI-VUZCMDGUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.34
• 重原子数：
  29.0
• 可旋转键数：
  0.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  74.22
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (1'S,3a'S,6a'S,6b'S,12a'R,12b'S)-1'-hydroxy-1',2',5',6',6a',6b',7',9',11',12',12a',12b'-dodecahydro-3'H-dispiro[[1,3]dioxolane-2,4'-[1,3a]methanonaphtho[2,1-e]azulene-10',2''-[1,3]dioxolan]-3'-one 在 偶氮二异丁腈 、 三正丁基氢锡 作用下， 生成 (1'R,3a'S,6a'S,6b'R,12a'R,12b'S)-1',2',5',6',6a',6b',7',9',11',12',12a',12b'-dodecahydro-3'H-dispiro[[1,3]dioxolane-2,4'-[1,3a]methanonaphtho[2,1-e]azulene-10',2''-[1,3]dioxolan]-3'-one
  参考文献：
  名称：

  Synthesis of 11,13-bridged progestational steroids

  摘要：

  11,13-Ethanopregnanes were prepared to assess the influence of the bending of the steroid skeleton on progestagenic activity. It was demonstrated that, contrary to previous assumptions, upward bending of the A ring has little overall effect on the activity. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10113-5
• 作为产物：
  描述：

  3,3:17,17-bis[1,2-ethenediylbis(oxy)]-11β-hydroxyestr-5-en-18-oic acid γ-lactone 在 pyridinium chlorochromate 作用下， 生成 (1'S,3a'S,6a'S,6b'S,12a'R,12b'S)-1'-hydroxy-1',2',5',6',6a',6b',7',9',11',12',12a',12b'-dodecahydro-3'H-dispiro[[1,3]dioxolane-2,4'-[1,3a]methanonaphtho[2,1-e]azulene-10',2''-[1,3]dioxolan]-3'-one
  参考文献：
  名称：

  Synthesis of 11,13-bridged progestational steroids

  摘要：

  11,13-Ethanopregnanes were prepared to assess the influence of the bending of the steroid skeleton on progestagenic activity. It was demonstrated that, contrary to previous assumptions, upward bending of the A ring has little overall effect on the activity. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10113-5