costic acid methyl ester | 3650-42-8

• 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: costic acid methyl ester
• 英文别名: Costinsaeure-methylester；Methyl-gamma-costate；methyl 2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate
• CAS: 3650-42-8
• 化学式: C₁₆H₂₄O₂
• 分子量: 248.365
• InChiKey: WQPKMCCPWWJBMZ-IJEWVQPXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  甲醇 、 [(3aS,8R,9S,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9a,9b-hexahydroazuleno[4,5-b]furan-8-yl] 2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate 在 potassium carbonate 作用下， 反应 0.33h， 以18.7%的产率得到
  参考文献：
  名称：

  A costic acid guaianyl ester and other constituents of podachaenium EMINENSfn1fn1Contribution No. 1658 of Instituto de Química, UNAM.

  摘要：

  In addition to known compounds, the aerial parts of Podachaenium eminens contained the guaianolide named eminensin A, the eudesmanolide eminensin B and podachaenin, a compound formed through esterification of an hydroxyguaianolide by costic acid. Structures of these compounds were established by analysis of their spectroscopic data and, in the case of eminensin A, it was confirmed by X-ray crystallographic analysis. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(98)00309-4

文献信息

• A costic acid guaianyl ester and other constituents of podachaenium EMINENSfn1fn1Contribution No. 1658 of Instituto de Química, UNAM.
  作者：Alfredo Ortega、Rubén A.Toscanoand Emma Maldonado

  DOI：10.1016/s0031-9422(98)00309-4

  日期：1998.10

  In addition to known compounds, the aerial parts of Podachaenium eminens contained the guaianolide named eminensin A, the eudesmanolide eminensin B and podachaenin, a compound formed through esterification of an hydroxyguaianolide by costic acid. Structures of these compounds were established by analysis of their spectroscopic data and, in the case of eminensin A, it was confirmed by X-ray crystallographic analysis. (C) 1998 Elsevier Science Ltd. All rights reserved.