Acetic acid (1S,2R,4R,4aS,5S,6S,8aR)-2-acetoxy-5-(3-acetoxy-propionyl)-6-((R)-sec-butyl)-4,5-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-naphthalen-1-yl ester | 952514-55-5

• 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: Acetic acid (1S,2R,4R,4aS,5S,6S,8aR)-2-acetoxy-5-(3-acetoxy-propionyl)-6-((R)-sec-butyl)-4,5-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-naphthalen-1-yl ester
• 英文别名: [3-[(1S,2S,4aR,5S,6R,8R,8aS)-5,6-diacetyloxy-2-[(2R)-butan-2-yl]-1,8-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-oxopropyl] acetate
• CAS: 952514-55-5
• 化学式: C₂₅H₃₈O₇
• 分子量: 450.573
• InChiKey: HXOARGUSRQWPJP-CWRUUMFNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  32
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  96
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Acetic acid (1S,2R,4R,4aS,5S,6S,8aR)-2-acetoxy-5-(3-acetoxy-propionyl)-6-((R)-sec-butyl)-4,5-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-naphthalen-1-yl ester 在 四氧化锇 作用下， 以 吡啶 、 苯 为溶剂， 生成 Acetic acid (1R,2S,3R,4R,4aS,5R,7R,8S,8aR)-7-acetoxy-4-(3-acetoxy-propionyl)-3-((R)-sec-butyl)-1,8-dihydroxy-4,5-dimethyl-decahydro-naphthalen-2-yl ester
  参考文献：
  名称：

  Trichoharzin, a new polyketide produced by the imperfect fungus Trichoderma harzianum separated from the marine sponge Micale cecilia

  摘要：

  Trichoharzin (1) has been isolated from a culture of the imperfect fungus Trichoderma harzianum, which was separated from the marine sponge Micale cecilia, and the absolute stereostructure elucidated. Trichoharzin (1) is a new polyketide constructed with an alkylated decalin skeleton and esterified with 3-methylglutaconic acid, a rare acyl moiety.

  DOI：

  10.1016/s0040-4039(00)61513-7
• 作为产物：
  描述：

  trichoharzin 在 氢氧化钾 作用下， 以 甲醇 、 水 为溶剂， 生成 Acetic acid (1S,2R,4R,4aS,5S,6S,8aR)-2-acetoxy-5-(3-acetoxy-propionyl)-6-((R)-sec-butyl)-4,5-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-naphthalen-1-yl ester
  参考文献：
  名称：

  Trichoharzin, a new polyketide produced by the imperfect fungus Trichoderma harzianum separated from the marine sponge Micale cecilia

  摘要：

  Trichoharzin (1) has been isolated from a culture of the imperfect fungus Trichoderma harzianum, which was separated from the marine sponge Micale cecilia, and the absolute stereostructure elucidated. Trichoharzin (1) is a new polyketide constructed with an alkylated decalin skeleton and esterified with 3-methylglutaconic acid, a rare acyl moiety.

  DOI：

  10.1016/s0040-4039(00)61513-7

文献信息

• Eujavanicols A–C, Decalin Derivatives from Eupenicillium javanicum
  作者：Shou Nakadate、Koohei Nozawa、Hitoshi Horie、Yuichi Fujii、Masahiro Nagai、Tomoo Hosoe、Ken-ichi Kawai、Takashi Yaguchi、Kazutaka Fukushima

  DOI：10.1021/np078008a

  日期：2007.9.1

  Three new decalin derivatives, eujavanicols A-C (1-3), were isolated from an extract of Eupenicillium javanicum IFM 54704. Their structures were determined by chemical and spectroscopic methods.