(1R,3E,5S,8E,12E,15S)-17-hydroxy-18-[(2S)-1-hydroxypropan-2-yl]-5-methoxy-4,8,12,15-tetramethylbicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,3E,5S,8E,12E,15S)-17-hydroxy-18-[(2S)-1-hydroxypropan-2-yl]-5-methoxy-4,8,12,15-tetramethylbicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one
• 化学式: C₂₆H₄₀O₄
• 分子量: 416.601
• InChiKey: QHGAZYCCDVHKKP-OFCUMJMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  甲醇 、 terpestacin 在 盐酸 作用下， 以 甲醇 为溶剂， 以17 mg的产率得到(1R,3E,5S,8E,12E,15S)-17-hydroxy-18-[(2S)-1-hydroxypropan-2-yl]-5-methoxy-4,8,12,15-tetramethylbicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one
  参考文献：
  名称：

  Stereochemistry and biosynthesis of terpestacin, a new syncytium formation inhibitor

  摘要：

  The absolute configuration of terpestacin (1), a fungal metabolite with syncytium formation inhibitory activity, was determined by means of NMR technique and X-ray single-crystal analysis. Its biosynthetic pathway was elucidated by the incorporation experiments of C-13-labeled acetates.

  DOI：

  10.1021/jo00059a045

文献信息

• Stereochemistry and biosynthesis of terpestacin, a new syncytium formation inhibitor
  作者：Masahisa Oka、Seiji Iimura、Yukio Narita、Tamotsu Furumai、Masataka Konishi、Toshikazu Oki、Qi Gao、Hiroshi Kakisawa

  DOI：10.1021/jo00059a045

  日期：1993.3

  The absolute configuration of terpestacin (1), a fungal metabolite with syncytium formation inhibitory activity, was determined by means of NMR technique and X-ray single-crystal analysis. Its biosynthetic pathway was elucidated by the incorporation experiments of C-13-labeled acetates.