(5aS)-8a-hydroxy-9anti-isopropyl-5a-methyl-8-(N'-methyl-N'-phenyl-hydrazino)-6-[(methyl-phenyl-hydrazono)-methyl]-(5ar,8ac)-1,4,5,5a,8,8a-hexahydro-1c,4c-methano-cyclopent[d]oxepin-2-one | 18676-21-6

• 分子结构分类: 有机化合物
• 英文名称: (5aS)-8a-hydroxy-9anti-isopropyl-5a-methyl-8-(N'-methyl-N'-phenyl-hydrazino)-6-[(methyl-phenyl-hydrazono)-methyl]-(5ar,8ac)-1,4,5,5a,8,8a-hexahydro-1c,4c-methano-cyclopent[d]oxepin-2-one
• 英文别名: (5aS)-8a-hydroxy-9anti-isopropyl-5a-methyl-8-(N'-methyl-N'-phenyl-hydrazino)-6-[(methyl-phenyl-hydrazono)-methyl]-(5ar,8ac)-1,4,5,5a,8,8a-hexahydro-1c,4c-methano-cyclopent[d]oxepin-2-one；(5aS)-8a-Hydroxy-9anti-isopropyl-5a-methyl-8-(N'-methyl-N'-phenyl-hydrazino)-6-[(methyl-phenyl-hydrazono)-methyl]-(5ar,8ac)-1,4,5,5a,8,8a-hexahydro-1c,4c-methano-cyclopent[d]oxepin-2-on
• CAS: 18676-21-6
• 化学式: C₂₉H₃₆N₄O₃
• 分子量: 488.63
• InChiKey: LCAMZBSFFLUMIX-OWCHIMNASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.01
• 重原子数：
  36.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  77.4
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  1,4-亚甲基-2H-环戊二烯并[d]噁庚-6-甲醛,1,4,5,5a,8,8a-六氢-8,8a-二羟基-5a-甲基-9-(1-甲基乙基)-2-羰基-,(1S,4S,5aS,8S,8aR,9S)-(9CI) 、 1-甲基-1-苯肼 在 溶剂黄146 作用下， 生成 (5aS)-8a-hydroxy-9anti-isopropyl-5a-methyl-8-(N'-methyl-N'-phenyl-hydrazino)-6-[(methyl-phenyl-hydrazono)-methyl]-(5ar,8ac)-1,4,5,5a,8,8a-hexahydro-1c,4c-methano-cyclopent[d]oxepin-2-one
  参考文献：
  名称：

  Kariyone; Kashiwagi, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1934, vol. 54, p. 203; dtsch. Ref. S. 31

  摘要：

  DOI：