14(R)-hydroxy-7β-isovaleryloxyoplop-8(10)-en-2-one | 348113-04-2

• 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: 14(R)-hydroxy-7β-isovaleryloxyoplop-8(10)-en-2-one
• 英文别名: (1S,3aR,5R,7S,7aS)-Octahydro-1-[(1R)-1-hydroxyethyl]-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl 3-methylbutanoate；[(1S,3aR,5R,7S,7aS)-1-[(1R)-1-hydroxyethyl]-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] 3-methylbutanoate
• CAS: 348113-04-2
• 化学式: C₂₀H₃₂O₄
• 分子量: 336.472
• InChiKey: RJNJFKDVPIFVPQ-WCJJETLUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 14(R)-hydroxy-7β-isovaleryloxyoplop-8(10)-en-2-one 在 吡啶 作用下， 以1.8 mg的产率得到14(R)-acetoxy-7β-isovaleryloxyoplop-8(10)-en-2-one
  参考文献：
  名称：

  Structures of New Sesquiterpenoids from Farfarae Flos.

  摘要：

  Two new bisabolane-type sesquiterpenoids, (3R, 4R, 6S)-3, 4-epoxybisabola-7(14), 10-dien-2-one and (1R, 3R, 4R, 5S, 6S)-1-acetoxy-8-angeloyloxy-3, 4-epoxy-5-hydroxybisabola-7(14), 10-dien-2-one, and a new oplopane-type sesquiterpenoid, 14(R)-hydroxy-7β-isovaleroyloxyoplop-8(10)-en-2-one, were isolated from Farfarae Flos along with three known compounds. The structures of these compounds were elucidated on the basis of spectroscopic evidence.

  DOI：

  10.1248/cpb.49.645

文献信息

• Structures of New Sesquiterpenoids from Farfarae Flos.
  作者：Yasunori YAOITA、Noriko SUZUKI、Masao KIKUCHI

  DOI：10.1248/cpb.49.645

  日期：——

  Two new bisabolane-type sesquiterpenoids, (3R, 4R, 6S)-3, 4-epoxybisabola-7(14), 10-dien-2-one and (1R, 3R, 4R, 5S, 6S)-1-acetoxy-8-angeloyloxy-3, 4-epoxy-5-hydroxybisabola-7(14), 10-dien-2-one, and a new oplopane-type sesquiterpenoid, 14(R)-hydroxy-7β-isovaleroyloxyoplop-8(10)-en-2-one, were isolated from Farfarae Flos along with three known compounds. The structures of these compounds were elucidated on the basis of spectroscopic evidence.