trijugin H | 1019986-60-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: trijugin H
• 英文别名: methyl (1S,2R,4S,8S,9S,11S,13R,14S,15R,17R)-8-(furan-3-yl)-1-hydroxy-9,13,18,18-tetramethyl-17-(2-methylbutanoyloxy)-19-methylidene-6,12-dioxo-3,7,16-trioxapentacyclo[12.2.2.14,11.02,13.04,9]nonadecane-15-carboxylate
• CAS: 1019986-60-7
• 化学式: C₃₂H₄₀O₁₁
• 分子量: 600.663
• InChiKey: AGULQVOIQGROLM-KKNNIMMYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  43
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  148
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  trijugin H 以50%的产率得到trijugin G
  参考文献：
  名称：

  Structural elucidation of limonoids and steroids from Trichilia connaroides

  摘要：

  Six limonoids, trijugins D-H (1-5) and methyl 8 alpha-hydroxy-8,30-dihydroangolensate (6), two degraded limonoids, trichiconnarins A and B (7-8), and a pregnane steroid, 30,4 alpha-dihydroxypregnan-21-one (9), along with the known trijugin C (10) and 3 beta,4 alpha-dihydroxypregnan- 16-one (11) were isolated from twigs and leaves of Trichilia connaroides. Their structures were established on the basis of extensive spectroscopic analysis. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2008.01.018
• 作为产物：
  描述：

  trijugin G 以50%的产率得到trijugin H
  参考文献：
  名称：

  Structural elucidation of limonoids and steroids from Trichilia connaroides

  摘要：

  Six limonoids, trijugins D-H (1-5) and methyl 8 alpha-hydroxy-8,30-dihydroangolensate (6), two degraded limonoids, trichiconnarins A and B (7-8), and a pregnane steroid, 30,4 alpha-dihydroxypregnan-21-one (9), along with the known trijugin C (10) and 3 beta,4 alpha-dihydroxypregnan- 16-one (11) were isolated from twigs and leaves of Trichilia connaroides. Their structures were established on the basis of extensive spectroscopic analysis. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2008.01.018