(3R,5R,10S,13R,14R,15S,17R)-17-((E)-(1S,2S)-2,6-Dihydroxy-1,5-dimethyl-hex-4-enyl)-4,4,10,13,14-pentamethyl-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol | 112667-16-0

• 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: (3R,5R,10S,13R,14R,15S,17R)-17-((E)-(1S,2S)-2,6-Dihydroxy-1,5-dimethyl-hex-4-enyl)-4,4,10,13,14-pentamethyl-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol
• CAS: 112667-16-0
• 化学式: C₃₀H₄₈O₄
• 分子量: 472.709
• InChiKey: NYBKZRVXKZMNQV-YBINDIGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.17
• 重原子数：
  34.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  80.92
• 氢给体数：
  4.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  ganoderic acid T 在 lithium aluminium tetrahydride 作用下， 生成 (3R,5R,10S,13R,14R,15S,17R)-17-((E)-(1S,2S)-2,6-Dihydroxy-1,5-dimethyl-hex-4-enyl)-4,4,10,13,14-pentamethyl-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol
  参考文献：
  名称：

  Hirotani, Masao; Ino, Chieko; Furuya, Tsutomu, Chemical and pharmaceutical bulletin, 1986, vol. 34, # 5, p. 2282 - 2285

  摘要：

  DOI：

文献信息

• Ganoderic acid derivatives and ergosta-4,7,22-triene-3,6-dione from Ganoderma lucidum
  作者：Masao Hirotani、Isao Asaka、Chieko Ino、Tsutomu Furuya、Motoo Shiro

  DOI：10.1016/s0031-9422(00)83593-1

  日期：1987.1

  Seven new triterpenoids, ganoderic acid T, ganoderic acid S, ganoderic acid R, ganoderic acid P, ganoderic acid Q, ganoderic acid 0, 7-O-methyl-ganoderic acid 0 and a known ergosterol derivative, ergosta-4,7,22-triene-3,6-dione were isolated from the cultured mycelium of Ganoderma lucidum. The structure of the first compound was determined using spectroscopic and X-ray analysis, and the structures of the other compounds were elucidated by spectroscopic data.