inoterpene C

• 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: inoterpene C
• 英文别名: Inoterpene C；(3S,5R,10S,13R,14R,17R)-17-[(2R)-6-hydroperoxy-6-methylhept-4-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
• 化学式: C₃₀H₅₀O₃
• 分子量: 458.725
• InChiKey: TXUMQRMGEPNFCA-GIICLEHTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  羊毛甾醇 在 氧气 、 rose bengal 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以5%的产率得到inoterpene C
  参考文献：
  名称：

  Absolute stereostructures of inoterpenes A–F from sclerotia of Inonotus obliquus

  摘要：

  Six new lanostane-type triterpenes, inoterpenes A(1), B(2), C(3), D(4), E(5), and F(6), were isolated from the scleratia of Inonotus obliquus together with six known constituents. The chemical structures of new triterpenes 1-6 were characterized on the basis of chemical and physicochemical evidence including the application of the modified Mosher's method. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.01.076

文献信息

• Absolute stereostructures of inoterpenes A–F from sclerotia of Inonotus obliquus
  作者：Seikou Nakamura、Junko Iwami、Hisashi Matsuda、Shuichi Mizuno、Masayuki Yoshikawa

  DOI：10.1016/j.tet.2009.01.076

  日期：2009.3

  Six new lanostane-type triterpenes, inoterpenes A(1), B(2), C(3), D(4), E(5), and F(6), were isolated from the scleratia of Inonotus obliquus together with six known constituents. The chemical structures of new triterpenes 1-6 were characterized on the basis of chemical and physicochemical evidence including the application of the modified Mosher's method. (C) 2009 Elsevier Ltd. All rights reserved.