12,16,17-三羟基松香-8,11,13-三烯-19-酸 | 32630-75-4

• 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: 12,16,17-三羟基松香-8,11,13-三烯-19-酸
• 英文名称: pododacric acid
• 英文别名: (1S,4aS,10aR)-7-(1,3-dihydroxypropan-2-yl)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
• CAS: 32630-75-4
• 化学式: C₂₀H₂₈O₅
• 分子量: 348.439
• InChiKey: DARXGOKMAVGSTE-RLLQIKCJSA-N

物化性质

• 熔点：
  213-214°
• 比旋光度：
  D25 +118° (c = 0.9 in 5:1 chloroform-methanol)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  98
• 氢给体数：
  4
• 氢受体数：
  5

文献信息

• [EN] A METHOD OF EXTRACTING TOTAROL AND/OR A PRODUCT CONTAINING TOTAROL<br/>[FR] PROCEDE D'EXTRACTION DE TOTAROL ET/OU PRODUIT CONTENANT DU TOTAROL
  申请人：MENDE DOUGLAS ANTHONY

  公开号：WO2005073154A1

  公开（公告）日：2005-08-11

  A process for producing a totarol-containing extract from suitable plant material is described. The process utilises a near-critical fluid as the extraction solvent. The process is particularly applicable to the extraction of totarol from Totara wood. The totarol-containing extract has activity against both Gram-positive and Gram-negative bacteria. The extract is produced free of solvent residues and is, therefore, suitable for use in pharmaceutical, nutraceutical, cosmetic, cosmeceutical and other formulations.