anthcolorin E | 358334-54-0

• 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: anthcolorin E
• 英文别名: Anthcolorin E；(3R)-3-[[(2S,4aR,5S,6S,8aS)-5-[(3S)-3,4-dihydroxy-4-methylpentyl]-6-hydroxy-5,8a-dimethyl-1-methylidene-3,4,4a,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-1-(2-methylbut-3-en-2-yl)-3H-indol-2-one
• CAS: 358334-54-0
• 化学式: C₃₃H₄₉NO₄
• 分子量: 523.756
• InChiKey: FHMUMBXUKWMPHG-NWWFIIQASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  81
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (R)-(+)-α-甲氧基-α-(三氟甲基)苯乙酸 、 anthcolorin E 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以21.1%的产率得到
  参考文献：
  名称：

  Anthcolorins A–F, novel cytotoxic metabolites from a sea urchin-derived Aspergillus versicolor

  摘要：

  Anthcolorins A-F were isolated from a strain of Aspergillus versicolor originally isolated from the sea urchin Anthocidaris crassispana, and their absolute stereostructures were elucidated on the basis of spectroscopic analyses, including 1D and 2D NMR techniques, an X-ray crystal-structure analysis and CD spectra. These compounds were unique tetrahydropyrane diterpene type metabolites with oxoindoline at C-3, and some of them exhibited significant growth inhibition against cultured P388 cells. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.04.011

文献信息

• Anthcolorins A–F, novel cytotoxic metabolites from a sea urchin-derived Aspergillus versicolor
  作者：Kyoko Nakanishi、Mitsunobu Doi、Yoshihide Usami、Taro Amagata、Katsuhiko Minoura、Reiko Tanaka、Atsushi Numata、Takeshi Yamada

  DOI：10.1016/j.tet.2013.04.011

  日期：2013.6

  Anthcolorins A-F were isolated from a strain of Aspergillus versicolor originally isolated from the sea urchin Anthocidaris crassispana, and their absolute stereostructures were elucidated on the basis of spectroscopic analyses, including 1D and 2D NMR techniques, an X-ray crystal-structure analysis and CD spectra. These compounds were unique tetrahydropyrane diterpene type metabolites with oxoindoline at C-3, and some of them exhibited significant growth inhibition against cultured P388 cells. (C) 2013 Elsevier Ltd. All rights reserved.