曲霉菌素A1 | 109750-36-9

• 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
• 中文名称: 曲霉菌素A1
• 英文名称: 2α,3β,19α-trihydroxyurs-12-ene-23-carboxyl-28-O-β-D-glucopyranosyl ester
• 英文别名: suavissimoside R 1；suvavissimoside R1；sauvissimoside R1；suavissimoside F1；suavissimoside R1；suavissmoside R1；(2R,3R,4S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid
• CAS: 109750-36-9；95645-51-5
• 化学式: C₃₆H₅₆O₁₂
• 分子量: 680.833
• InChiKey: YXSQSVWHKZZWDD-FPLSKCGGSA-N

物化性质

• 沸点：
  803.1±65.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  48
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  214
• 氢给体数：
  8
• 氢受体数：
  12

安全信息

• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  曲霉菌素A1 在 lithium aluminium tetrahydride 、 hesperidinase 作用下， 以 甲醇 、 乙醚 、 水 、 甲苯 为溶剂， 反应 22.5h， 生成 19α-羟基积雪草酸
  参考文献：
  名称：

  Gao, Feng; Chen, Feng-huai; Tanaka, Takashi, Chemical and pharmaceutical bulletin, 1985, vol. 33, # 1, p. 37 - 40

  摘要：

  DOI：

文献信息

• Abe, Fumiko; Yamauchi, Tatsuo, Chemical and pharmaceutical bulletin, 1987, vol. 35, # 5, p. 1748 - 1754
  作者：Abe, Fumiko、Yamauchi, Tatsuo

  DOI：——

  日期：——
• Triterpenoids and glycosides from Geum japonicum
  作者：Shinji Shigenaga、Isao Kouno、Nobusuke Kawano

  DOI：10.1016/s0031-9422(00)80818-3

  日期：1985.1
• Composition containing an extract of rubi fructus for preventing and treaing anxiety, depression and dementia and improving memory
  申请人：Kim Sung-Jin

  公开号：US20070259062A1

  公开（公告）日：2007-11-08

  Disclosed is a composition containing an extract of Rubi Fructus for preventing and treating anxiety, depression and dementia and improving memory. The composition can be used as drugs and dietary supplements which induce prophylactic and therapeutic effects on anxiety, depression and dementia as well as memory-improving effect in the modems afflicted with the modification of neurotransmitter releases and brain damage caused by external environmental factors including various kinds of stresses, menopause, drinking alcohols, smoking cigarettes and others.
• Composition Containing an Extract of Rubi Fructus for Preventing and Treating Anxiety, Depression and Dementia, and Improving Memory
  申请人：Kim Sung-Jin

  公开号：US20080213416A1

  公开（公告）日：2008-09-04

  Disclosed is a composition containing an extract of Rubi Fructus for preventing and treating anxiety, depression and dementia and improving memory. The composition can be used as drugs and dietary supplements which induce prophylactic and therapeutic effects on anxiety, depression and dementia as well as memory-improving effect in the moderns afflicted with the modification of neurotransmitter releases and brain damage caused by external environmental factors including various kinds of stresses, menopause, drinking alcohols, smoking cigarettes and others.
• COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF HEART FAILURE
  申请人：Li Ming

  公开号：US20120077762A1

  公开（公告）日：2012-03-29

  Disclosed herein are compounds, extracts, and active fractions of the plant Geum japonicum alone or in combination with Centella Asiatica and methods for preventing or treating heart failure. The compounds provided herein can be formulated into pharmaceutical compositions and medicaments that are useful in the disclosed methods. Also provided are the use of the compounds and extracts in preparing pharmaceutical formulations and medicaments.