鸦胆子素F | 23112-07-4

• 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
• 中文名称: 鸦胆子素F
• 英文名称: brucein F
• 英文别名: bruceine F；(1R,2R,3R,6R,8S,11S,12S,13S,14R,15R,16S,17R)-2,3,11,12,15,16-hexahydroxy-17-(hydroxymethyl)-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one
• CAS: 23112-07-4
• 化学式: C₂₀H₂₈O₁₀
• 分子量: 428.436
• InChiKey: JYTPGFZCXMNCDX-KIMQNEDBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.3
• 重原子数：
  30
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  177
• 氢给体数：
  7
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  鸦胆子素F 在 吡啶 、 manganese(IV) oxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 88.0h， 生成 1,12,15,21-tetra-O-acetylyadanziolide A
  参考文献：
  名称：

  Constituents of Seeds ofBrucea javanica. Structures of New Bitter Principles, Yadanziolides A, B, C, Yadanziosides F, I, J, and L.

  摘要：

  从中国民间传说中的 "丫旦子"（Brucea javanica (L.) Merr）种子甲醇提取物的水溶性部分中分离出3种新的槲皮素和4种新的槲皮素苷，并通过光谱和化学方法确定了它们的结构。结果表明，雅丹子苷 F、I、J 和 L 具有抗白血病活性。

  DOI：

  10.1246/bcsj.58.2673

文献信息

• Structures of yadanziolides A, B, and C, new bitter principles from Brucea javanica.
  作者：Shin Yoshimura、Toshiro Sakaki、Masami Ishibashi、Takahiko Tsuyuki、Takeyoshi Takahashi、Kazuhiro Matsushita、Tadashi Honda

  DOI：10.1248/cpb.32.4698

  日期：——

  Three bitter quassinoids, yadanziolides A, B, and C (1, 2 and 3), were isolated from seeds of Brucea javanica, known as"Ya-dan-zi" in Chinese folklore and their structures have been established from chemical transformation and spectral analysis.
• Constituents of Seeds of<i>Brucea javanica</i>. Structures of New Bitter Principles, Yadanziolides A, B, C, Yadanziosides F, I, J, and L.
  作者：Shin Yoshimura、Toshiro Sakaki、Masami Ishibashi、Takahiko Tsuyuki、Takeyoshi Takahashi、Tadashi Honda

  DOI：10.1246/bcsj.58.2673

  日期：1985.9

  Three new quassinoids and four new quassinoid glycosides were isolated from water-soluble fraction of methanol extract of seeds of Brucea javanica (L.) Merr, known as “Ya-dan-zi” in Chinese folklore and their structures were determined by spectral and chemical means. Yadanziosides F, I, J, and L were demonstrated to have antileukemic activity.

  从中国民间传说中的 "丫旦子"（Brucea javanica (L.) Merr）种子甲醇提取物的水溶性部分中分离出3种新的槲皮素和4种新的槲皮素苷，并通过光谱和化学方法确定了它们的结构。结果表明，雅丹子苷 F、I、J 和 L 具有抗白血病活性。