(3aS,5S,7aS)-5-hydroxy-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one | 956483-60-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3aS,5S,7aS)-5-hydroxy-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one
• CAS: 956483-60-6
• 化学式: C₁₀H₁₆O₂
• 分子量: 168.236
• InChiKey: NCXCIUUTBMLBMV-NRPADANISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.52
• 重原子数：
  12.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (3aS,5S,7aS)-5-hydroxy-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one 在 copper(ll) bromide 作用下， 以 甲醇 为溶剂， 以89%的产率得到
  参考文献：
  名称：

  Synthesis of the A,B-ring-truncated OSW saponin analogs and their antitumor activities

  摘要：

  The A,B-ring-truncated OSW saponin analogs (1, 18a, and 18b) were synthesized. These greatly simplified trans-hydrin-dane disaccharides retained considerable inhibitory activity against the growth of HeLa and Jurkat T cells (IC50 = 0.8-21.1 mu M). (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.08.060
• 作为产物：
  描述：

  (-)-trans-7a-methyl-1,5-indandione 在 sodium tetrahydroborate 作用下， 以 异丙醇 为溶剂， 以72%的产率得到(3aS,5S,7aS)-5-hydroxy-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one
  参考文献：
  名称：

  Synthesis of the A,B-ring-truncated OSW saponin analogs and their antitumor activities

  摘要：

  The A,B-ring-truncated OSW saponin analogs (1, 18a, and 18b) were synthesized. These greatly simplified trans-hydrin-dane disaccharides retained considerable inhibitory activity against the growth of HeLa and Jurkat T cells (IC50 = 0.8-21.1 mu M). (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.08.060

文献信息

• Calciferol and its relatives. Part X. Ring-contraction routes to some 8-methyl-trans-perhydroindanones
  作者：T. M. Dawson、P. S. Littlewood、B. Lythgoe、T. Medcalfe、M. W. Moon、P. M. Tomkins

  DOI：10.1039/j39710001292

  日期：——

  Methods based on a ring-contraction of cyclic αβ-epoxy-ketones to give α-hydroxy-acids are used for the preparation of some 8-methyl-trans-perhydroindanone derivatives of possible interest in connection with the synthesis of 9,10-seco-steroids. They include the unsaturated ketones (10) and (22), and the hydroxy-ketones (14), (21), (46), and (49).

  基于环状αβ-环氧酮的环收缩以产生α-羟基酸的方法用于制备与9,10-癸二酚的合成有关的一些可能感兴趣的8-甲基-反式-过氢氢化茚满酮衍生物-类固醇。它们包括不饱和酮（10）和（22），以及羟基酮（14），（21），（46）和（49）。
• ZHOW, WEI-SHAN;WANG, ZHONG-QI;ZHANG, HAO;FEI, RUI-YIN;ZHUANG, ZHI-PING, ACTA CHIM. SIN., 1985, 43, N 2, 168-173
  作者：ZHOW, WEI-SHAN、WANG, ZHONG-QI、ZHANG, HAO、FEI, RUI-YIN、ZHUANG, ZHI-PING

  DOI：——

  日期：——