(1R,8R,10S)-3,4-dimethoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-9,15-dione | 116064-20-1

• 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: (1R,8R,10S)-3,4-dimethoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-9,15-dione
• CAS: 116064-20-1
• 化学式: C₂₂H₂₈O₅
• 分子量: 372.461
• InChiKey: UKEQGHPKCIYSPW-WVBUVRCRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.07
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  61.83
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (1R,8R,10S)-3,4-dimethoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-9,15-dione 、 硼氢化钠 生成 (1R,8R,9S,10S)-9-hydroxy-3,4-dimethoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
  参考文献：
  名称：

  KELECOM, A.;BRASIL, MEDEIROS W. L., AN. ACAD. BRAS. CIENC., 58,(1986) N 3, 369-374

  摘要：

  DOI：
• 作为产物：
  描述：

  isogaldosol 、 硫酸二甲酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 3.0h， 以0.0015 g的产率得到(1R,8R,10S)-3,4-dimethoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-9,15-dione
  参考文献：
  名称：

  Diterpenes from Salvia mellifera and their biogenetic significance

  摘要：

  The new diterpenes, 11,12-dihydroxy-20-nor-abieta-5(10),8,11,13-tetraen-1-one and isogaldosol, together with the known compounds carnosic acid, carnosol, rosmanol, rosmadial, galdosol and isorosmanol were isolated from the aerial part of Salvia mellifera. The structures of the new diterpenes were established from their spectral data and by chemical correlations. The co-occurrence of all these compounds in one species taken together with their chemical behaviour led to the postulation of a biogenetic pathway to highly oxidized abietatriene diterpenes in which enzymatic dehydrogenation processes and the participation of singlet-state oxygen appear to play an important role.

  DOI：

  10.1016/0031-9422(92)80282-j