| 656248-65-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• CAS: 656248-65-6
• 化学式: C₁₄H₁₆O₅
• 分子量: 264.278
• InChiKey: GBNXMAUGRRXLPJ-BBPWNKPXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.18
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  86.99
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (R)-methoxytrifluoromethylphenylacetyl chloride 、 在 吡啶 、 4-二甲氨基吡啶 作用下， 生成
  参考文献：
  名称：

  Lambertellol C, a labile and novel biosynthetic congener of lambertellols A and B

  摘要：

  Lambertellol C (1), a labile biosynthetic congener of lambertellols A and B, was isolated from a fermentation broth of Lambertella sp. 1346 based on the diagnostic isotope patterns in the mass spectrum of a highly labeled sample. The CD spectrum of I indicated that this lambertellol analogue exists as a racemate. The mechanism for this racemization is discussed. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.036
• 作为产物：
  描述：

  lambertellol B 在 platinum(IV) oxide 氢气 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以55%的产率得到
  参考文献：
  名称：

  Lambertellols A and B, Novel 3,4-Dihydronaphthalen-1(2H)-ones with Spiro-butenolide Produced by Lambertella sp.1346

  摘要：

  [GRAPHICS]Lambertella sp. 1346 was found to produce lambertellols A (1) and B (2) carrying a novel dihydronaphthalen-1(2H)-ones with spiro-1-furan-2(5'H)-one. The spiro-lactone ring moiety of both 1 and 2 were easily migrated to afford lambertellin, a known metabolite of Lambertella corni-maris. The absolute stereochemistry of these compounds was established on the basis of CD spectrum after chemical derivatization.

  DOI：

  10.1021/ol035889d