gymnorhizol | 52647-56-0

• 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: gymnorhizol
• 英文别名: (3R,4aR,6aR,6bS,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-ol
• CAS: 52647-56-0
• 化学式: C₃₀H₅₀O
• 分子量: 426.726
• InChiKey: JOCIRBSYAYKMEF-HJNBUTKPSA-N

物化性质

• 沸点：
  491.2±44.0 °C(Predicted)
• 密度：
  1.01±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  31
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  gymnorhizol 在 jones' reagent 作用下， 以 丙酮 为溶剂， 反应 2.0h， 以15.8 mg的产率得到Α-香树脂酮
  参考文献：
  名称：

  Hepatoprotective triterpenes from Sedum sarmentosum

  摘要：

  The known delta-amyrone, 3-epi-delta-amyrin, delta-amyrin as well as anew hydroperoxy triterpene, 18 beta-hydroperoxy-olean-12-en-3-one (named sarmentolin) were isolated as hepatoprotective agents from Sedum sarmentosum. Their structures were elucidated by spectral analysis and chemical reactions. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(98)00434-8
• 作为产物：
  描述：

  Α-香树脂酮 在 platinum(IV) oxide 氢气 作用下， 以 乙醇 为溶剂， 反应 24.0h， 生成 13(18)-齐墩果烯-3-醇 、 gymnorhizol
  参考文献：
  名称：

  Hepatoprotective triterpenes from Sedum sarmentosum

  摘要：

  The known delta-amyrone, 3-epi-delta-amyrin, delta-amyrin as well as anew hydroperoxy triterpene, 18 beta-hydroperoxy-olean-12-en-3-one (named sarmentolin) were isolated as hepatoprotective agents from Sedum sarmentosum. Their structures were elucidated by spectral analysis and chemical reactions. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(98)00434-8

文献信息

• Hepatoprotective triterpenes from Sedum sarmentosum
  作者：Aimin He、Mingshi Wang、Hongyan Hao、Decheng Zhang、Kuo-Hsiung Lee

  DOI：10.1016/s0031-9422(98)00434-8

  日期：1998.12

  The known delta-amyrone, 3-epi-delta-amyrin, delta-amyrin as well as anew hydroperoxy triterpene, 18 beta-hydroperoxy-olean-12-en-3-one (named sarmentolin) were isolated as hepatoprotective agents from Sedum sarmentosum. Their structures were elucidated by spectral analysis and chemical reactions. (C) 1998 Elsevier Science Ltd. All rights reserved.