inoterpene B | 69770-65-6

• 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 B
• 英文别名: Inoterpene B；(3R,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3-diol
• CAS: 69770-65-6
• 化学式: C₃₀H₅₂O₃
• 分子量: 460.741
• InChiKey: JFEXJRXYTKYHOD-IFNSRKHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  inoterpene B 、 (R)-methoxytrifluoromethylphenylacetyl chloride 在 吡啶 作用下， 反应 6.0h， 以91%的产率得到
  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
• 作为产物：
  描述：

  羊毛甾醇 在 四氧化锇 、 水 、 N-甲基吗啉氧化物 作用下， 以 1,4-二氧六环 、 丙酮 为溶剂， 反应 48.0h， 生成 inoterpene A 、 inoterpene B
  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.