myrica acid | 310897-68-8

• 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: myrica acid
• 英文别名: 3β-hydroxy-1-oxoolean-11,13(18)-dien-28-oic acid；(4aS,6aS,6aS,6bR,8aS,10S,12aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-12-oxo-3,4,5,6,6a,7,8,8a,10,11-decahydro-1H-picene-4a-carboxylic acid
• CAS: 310897-68-8
• 化学式: C₃₀H₄₄O₄
• 分子量: 468.677
• InChiKey: MRZDEOWEUAMNTO-ZKORMJMLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  34
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.8
• 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：

  重氮甲烷 、 myrica acid 以 乙醚 为溶剂， 以1.2 mg的产率得到(4aS,6aS,6bR,8aS,10S,12aS,12bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-12-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-hexadecahydro-2H-picene-4a-carboxylic acid methyl ester
  参考文献：
  名称：

  Oleanane Acid from Myrica cerifera.

  摘要：

  From the twigs of Myrica cerifera L. (Myricaceae), a new oleanane triterpenic acid named myrica acid was isolated along with myricalactone and several other known constituents. The structure of the acid was determined as 3β-hydroxy-1-oxoolean-11, 13(18)-dien-28-oic acid on the basis of chemical and spectral evidence.

  DOI：

  10.1248/cpb.48.1427

文献信息

• Oleanane Acid from Myrica cerifera.
  作者：Masahiro NAGAI、Nobuko SAKURAI、Nobuyuki YUMOTO、Seiji NAGUMO、Shujiro SEO

  DOI：10.1248/cpb.48.1427

  日期：——

  From the twigs of Myrica cerifera L. (Myricaceae), a new oleanane triterpenic acid named myrica acid was isolated along with myricalactone and several other known constituents. The structure of the acid was determined as 3β-hydroxy-1-oxoolean-11, 13(18)-dien-28-oic acid on the basis of chemical and spectral evidence.