α-Amyrin formate | 6201-95-2

• 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
• 英文名称: α-Amyrin formate
• 英文别名: α-amyrin formiate；urs-12-ene-3β-formiate；α-Amyrin-formiat；O-Formyl-α-amyrin
• CAS: 6201-95-2
• 化学式: C₃₁H₅₀O₂
• 分子量: 454.737
• InChiKey: UKGPWPWYCGFTST-NVRFGEMYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.21
• 重原子数：
  33.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  甲酸 、 α-香树精 生成 α-Amyrin formate
  参考文献：
  名称：

  Dischendorfer, Monatshefte fur Chemie, 1925, vol. 46, p. 406

  摘要：

  DOI：

文献信息

• Are Isoursenol and γ-Amyrin Rare Triterpenes in Nature or Simply Overlooked by Usual Analytical Methods?
  作者：Hui Shan、William K. Wilson、Dorianne A. Castillo、Seiichi P. T. Matsuda

  DOI：10.1021/acs.orglett.5b01851

  日期：2015.8.21

  Among pentacyclic triterpenes commonly found in plants, gamma-amyrin and isoursenol are seldom reported and considered rare in nature. It was hypothesized that these triterpenes are instead routinely overlooked due to inadequate spectral characterization. gamma-Amyrin was prepared by HCOOH isomerization of alpha-amyrin, and isoursenol was isolated from products of a heterologously expressed oxidosqualene cyclase. With precise NMR and GC-MS data, a metabolomics strategy was used to identify isoursenol and gamma-amyrin in a wide range of plants.