thomandersine acetate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: thomandersine acetate
• 英文别名: 1-acetyl-5,6,7,7a-tetrahydro-3H-indol-2-one
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: LBVCBOPBXJMRED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  thomandersine acetate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 [2-Amino-cyclohex-(Z)-ylidene]-acetic acid
  参考文献：
  名称：

  Thomandersine and isothomandersine, 2-indolinone alkaloids from Thomandersia laurifolia

  摘要：

  In addition to the usual phytosterol mixture, taraxeryl palmitate and maslinic acid, two new 2-indolinone alkaloids, thomandersine and isothomandersine, have been isolated from a methanol extract of the leaves of Thomandersia laurifolia. Their structures were elucidated by spectroscopic methods and chemical correlations.

  DOI：

  10.1016/0031-9422(94)00930-r

文献信息

• Thomandersine and isothomandersine, 2-indolinone alkaloids from Thomandersia laurifolia
  作者：B Ngadjui

  DOI：10.1016/0031-9422(94)00930-r

  日期：1995.7

  In addition to the usual phytosterol mixture, taraxeryl palmitate and maslinic acid, two new 2-indolinone alkaloids, thomandersine and isothomandersine, have been isolated from a methanol extract of the leaves of Thomandersia laurifolia. Their structures were elucidated by spectroscopic methods and chemical correlations.