Triticusterol | 224566-30-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: Triticusterol
• 英文别名: (3S,4S,5S,10S,13R,14S,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
• CAS: 224566-30-7
• 化学式: C₂₉H₄₈O
• 分子量: 412.7
• InChiKey: QLDNWJOJCDIMKK-WHEMHEAOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.86
• 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：

  乙酸酐 、 Triticusterol 在 吡啶 作用下， 生成 Triticusterol acetate
  参考文献：
  名称：

  4α-Methyl-5α,14β-ergosta-8,24(241)-dien-3β-ol (“triticusterol”): the first naturally occurring 14β(H)-steroid

  摘要：

  The structure of triticusterol isolated from the germ oil of wheat (Triticum aestivum L.; Gramineae) was established to be 4α-methyl-5α,14β-ergosta-8,24(241)-dien-3β-ol on the basis of spectroscopic data. This is the first example of a naturally occurring compound with a 14β(H)-steroid skeleton.

  DOI：

  10.1039/a808508k

文献信息

• 4α-Methyl-5α,14β-ergosta-8,24(241)-dien-3β-ol (“triticusterol”): the first naturally occurring 14β(H)-steroid
  作者：Toshihiro Akihisa、Wilhelmus C. M. C. Kokke、Kazuo Koike、Yumiko Kimura、Chiyo Mizukami、Aya Sadaie、Takenori Maruyama、Tamotsu Nikaido

  DOI：10.1039/a808508k

  日期：——

  The structure of triticusterol isolated from the germ oil of wheat (Triticum aestivum L.; Gramineae) was established to be 4α-methyl-5α,14β-ergosta-8,24(241)-dien-3β-ol on the basis of spectroscopic data. This is the first example of a naturally occurring compound with a 14β(H)-steroid skeleton.