pyroquinovic acid | 133453-53-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: pyroquinovic acid
• 英文别名: Piroquinovic acid；3β-hydroxy-27-nor-ursen-(13)-oic acid-(28)；3β-Hydroxy-27-nor-ursen-(13)-saeure-(28)；Pyrochinovasaeure；3β-Hydroxy-27-nor-urs-13-en-28-saeure; Brenzchinovasaeure；Brenzchinovasaeure；(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-hexadecahydropicene-4a-carboxylic acid
• CAS: 133453-53-9
• 化学式: C₂₉H₄₆O₃
• 分子量: 442.682
• InChiKey: DCTWFROKNYJCEA-PFAKMEKZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  32
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  pyroquinovic acid 在 chromium(VI) oxide 、 过氧化氢苯甲酰 、 溶剂黄146 作用下， 生成 13,14-dihydroxy-3-oxo-27-nor-14α-ursan-28-oic acid-13-lactone
  参考文献：
  名称：

  Wieland; Hartmann; Dietrich, Justus Liebigs Annalen der Chemie, 1936, vol. 522, p. 191,214

  摘要：

  DOI：
• 作为产物：
  描述：

  鸡纳酸 生成 pyroquinovic acid
  参考文献：
  名称：

  Wieland; Erlenbach, Justus Liebigs Annalen der Chemie, 1927, vol. 453, p. 100

  摘要：

  DOI：

文献信息

• Two New Nor-triterpene Glycosides from Peruvian “Uña de Gato” (<i>Uncaria tomentosa</i>)
  作者：Mariko Kitajima、Ken-ichiro Hashimoto、Masashi Yokoya、Hiromitsu Takayama、Manuel Sandoval、Norio Aimi

  DOI：10.1021/np0203741

  日期：2003.2.1

  Two new 27-nor-triterpene glycosides, tomentosides A (1) and B (2), were isolated from Peruvian "Una de Gato" (cat's claw, plant of origin: Uncaria tomentosa), a traditional herbal medicine in Peru. Their structures were determined by spectroscopic analysis and chemical interconversions. This is the first report of naturally occurring pyroquinovic acid glycosides.

  从秘鲁的传统草药秘鲁“ Una de Gato”（猫爪，产地：Uncaria tomentosa）中分离出两个新的27-nor-triterpene糖苷，tomentosides A（1）和B（2）。它们的结构通过光谱分析和化学互转换来确定。这是天然存在的邻苯二酚喹诺酮酸糖苷的首次报道。
• Wieland; Hoshino, Justus Liebigs Annalen der Chemie, 1930, vol. 479, p. 179,191
  作者：Wieland、Hoshino

  DOI：——

  日期：——
• Modeling the Impacts of Climate Change on Water Supply Reliabilities
  作者：Ranjan S. Muttiah、Ralph A. Wurbs

  DOI：10.1080/02508060208687020

  日期：2002.9

  A strategy is presented for predicting impacts of future climate change on water supply capabilities, which is based on using output from a general circulation model (GCM) developed by the Canadian Center for Climate Modeling and Analysis (CCCma) with a watershed hydrology model and a river/reservoir system management model. The GCM output was used to adjust input to a watershed hydrology model in order to predict the corresponding impacts on streamflows. Output from the watershed model was used to adjust naturalized streamflows in a river/reservoir system management model in order to determine the corresponding impacts on water supply reliabilities. The methodology was applied in an investigation of capabilities for supplying water to the City of Houston and other users in the San Jacinto River Basin of Texas. Historical versus 2040 to 2059 climate scenarios were compared. Study results indicate that long-term mean streamflows under 2040 to 2059 climate conditions were higher than under historical climate due to significant increases in floods and other high flows. However flows were lower for the future climate scenario during periods of normal and low flows. Seasonal variations inflows were greater with the future climate scenario than the historical climate. Reservoir storage fluctuations increase under future climate. Due to relatively large storage capacities, reliabilities for water supply diversions were improved somewhat under future climate conditions.
• Liebermann; Giesel, Chemische Berichte, 1883, vol. 16, p. 937
  作者：Liebermann、Giesel

  DOI：——

  日期：——
• Wieland; Schmitt; Hrubesch, Justus Liebigs Annalen der Chemie, 1939, vol. 539, p. 219,229
  作者：Wieland、Schmitt、Hrubesch

  DOI：——

  日期：——