dactylorhin C | 256459-23-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: dactylorhin C
• 英文别名: (2R)-2-(2-methylpropyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanedioic acid
• CAS: 256459-23-1
• 化学式: C₁₄H₂₄O₁₀
• 分子量: 352.339
• InChiKey: RLSITCAUHUNHRO-BGWRNRDFSA-N

物化性质

• 沸点：
  595.9±50.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  174
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 dactylorhin C 在 吡啶 作用下， 反应 12.0h， 以87%的产率得到(2R)-2-(2-methylpropyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybutanedioic acid
  参考文献：
  名称：

  Glucosyloxybenzyl 2-Isobutylmalates from the Tubers of Gymnadenia conopsea

  摘要：

  Seven new glucosyloxybenzyl 2-isobutylmalates, gymnosides I-VII (1-7), were isolated from the tubers of Gymnadenia conopsea. The structures of 1-7 were determined on the basis of chemical and physicochemical evidence.

  DOI：

  10.1021/np0581115
• 作为产物：
  描述：

  gymnoside VI 在 单宁酶 、 水 作用下， 反应 24.0h， 以71%的产率得到dactylorhin C
  参考文献：
  名称：

  Glucosyloxybenzyl 2-Isobutylmalates from the Tubers of Gymnadenia conopsea

  摘要：

  Seven new glucosyloxybenzyl 2-isobutylmalates, gymnosides I-VII (1-7), were isolated from the tubers of Gymnadenia conopsea. The structures of 1-7 were determined on the basis of chemical and physicochemical evidence.

  DOI：

  10.1021/np0581115

文献信息

• Glycosidic Constituents of the Tubers of <i>Gymnadenia conopsea</i>
  作者：Jiachen Zi、Shuai Li、Mingtao Liu、Maoluo Gan、Sheng Lin、Weixia Song、Yanling Zhang、Xiaona Fan、Yongchun Yang、Jianjun Zhang、Jiangong Shi、Duolong Di

  DOI：10.1021/np070670j

  日期：2008.5.1

  Ten minor new glycosidic constituents (1-10), together with 10 known compounds, have been isolated from a neuroprotective fraction of an ethanolic extract of the tubers of Gymnadenia conopsea. The structures of 1-10 were determined using spectroscopic and chemical methods. The compounds isolated were evaluated for activity in in vitro assays for acetylcholine esterase and monoamine oxidase inhibitory activities.
• Glucosyloxybenzyl 2-Isobutylmalates from the Tubers of <i>Gymnadenia </i><i>c</i><i>onopsea</i>
  作者：Toshio Morikawa、Haihui Xie、Hisashi Matsuda、Masayuki Yoshikawa

  DOI：10.1021/np0581115

  日期：2006.6.1

  Seven new glucosyloxybenzyl 2-isobutylmalates, gymnosides I-VII (1-7), were isolated from the tubers of Gymnadenia conopsea. The structures of 1-7 were determined on the basis of chemical and physicochemical evidence.