moluccensin B

• 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: moluccensin B
• 英文别名: 3-O-2S-methylbutyryl-3-deisobutyryloxymoluccensin A；[(1S,2R,5R,6R,13R,14S,15S,17R,18S)-6-(furan-3-yl)-13-hydroxy-18-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-17-(2-methylpropanoyloxy)-8,12-dioxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadec-10-en-14-yl] (2S)-2-methylbutanoate
• 化学式: C₃₆H₄₆O₁₁
• 分子量: 654.755
• InChiKey: LLNKVAPYAWFFFK-VYSKABQCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  47
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  156
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  moluccensin B 在 水 、 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 24.0h， 生成 (S)-(+)-2-甲基丁酸 、 异丁酸
  参考文献：
  名称：

  Moluccensins A−G, Phragmalins with a Conjugated C-30 Carbonyl Group from a Krishna Mangrove, Xylocarpus moluccensis

  摘要：

  Seven new phragmalins with a C-30 carbonyl moiety, named moluccensins A-G (1-7), among which moluccensins A-F, possessing a Delta(8,14) double bond, and moluccensin G (7), containing conjugated Delta(8,9) and Delta(14,15) double bonds, were isolated from the seeds of an Indian mangrove, Xylocarpus moluccensis. The structures of these compounds were established on the basis of single-crystal X-ray diffraction analysis and spectroscopic data. This is the first report of phragmalins with a conjugated C-30 carbonyl group.

  DOI：

  10.1021/np9003504

文献信息

• Moluccensins A−G, Phragmalins with a Conjugated C-30 Carbonyl Group from a Krishna Mangrove, <i>Xylocarpus moluccensis</i>
  作者：Min-Yi Li、Sheng-Xin Yang、Jian-Yu Pan、Qiang Xiao、Tirumani Satyanandamurty、Jun Wu

  DOI：10.1021/np9003504

  日期：2009.9.25

  Seven new phragmalins with a C-30 carbonyl moiety, named moluccensins A-G (1-7), among which moluccensins A-F, possessing a Delta(8,14) double bond, and moluccensin G (7), containing conjugated Delta(8,9) and Delta(14,15) double bonds, were isolated from the seeds of an Indian mangrove, Xylocarpus moluccensis. The structures of these compounds were established on the basis of single-crystal X-ray diffraction analysis and spectroscopic data. This is the first report of phragmalins with a conjugated C-30 carbonyl group.