machaeric acid | 511-81-9

• 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
• 英文名称: machaeric acid
• 英文别名: 3-hydroxy-21-oxoolean-12en-28-oic acid；3β-hydroxy-21-oxo-olean-12-en-28-oic acid；Machaersaeure；3β-Hydroxy-21-oxo-olean-12-en-28-saeure；(4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
• CAS: 511-81-9
• 化学式: C₃₀H₄₆O₄
• 分子量: 470.693
• InChiKey: YFBQOFTUFLWOHF-JIRMRKEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  34
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  machaeric acid 生成 3β-Hydroxy-21-oxo-olean-12-en-28-saeure-methylester
  参考文献：
  名称：

  Terpenoids. XI.¹ Investigation of Nine Cactus Species. Isolation of Two New Triterpenes, Stellatogenin and Machaeric Acid²

  摘要：

  DOI：

  10.1021/ja01610a033

文献信息

• [EN] A PROCESS FOR THE ISOLATION OF BETULINIC ACID FROM NELUMBO NUCIFERA GAERTN RHIZOMES<br/>[FR] PROCEDE D'ISOLATION D'ACIDE BETULINIQUE A PARTIR DE RHIZOMES DE NELUMBO NUCIFERA GAERTN
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2003011891A1

  公开（公告）日：2003-02-13

  The present invention provides a process for the isolation of betulinic acid by extracting rhizomes of Nelumbo nucifera Gaertn (Family - Nymphaeaceae) with a polar solvent by conventional soxhlet extraction methods, concentrating the extract, adding water to the concentrated residue, extracting the said residue successively with non-polar solvents, extracting the aqueous phase with organic solvent, concentrating the above obtained organic solvent phase and purifying the product by conventional methods such as column chromatography followed by crystallization to give pure betulinic acid.