3-Heptyl-6,8-dihydroxy-isochroman-7-carboxylic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-Heptyl-6,8-dihydroxy-isochroman-7-carboxylic acid
• 英文别名: 3-heptyl-6,8-dihydroxy-3,4-dihydro-1H-isochromene-7-carboxylic acid
• 化学式: C₁₇H₂₄O₅
• 分子量: 308.375
• InChiKey: ORWOBFXHIQEDTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  87
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 3-Heptyl-6,8-dihydroxy-isochroman-7-carboxylic acid 以 乙醚 为溶剂， 生成 3-Heptyl-8-hydroxy-6-methoxy-isochroman-7-carboxylic acid methyl ester 、 3-Heptyl-6-hydroxy-8-methoxy-isochroman-7-carboxylic acid methyl ester
  参考文献：
  名称：

  An Antibiotic fromPenicilliumsp. Covering the Cocoon of the Leaf-rolling Moth,Dactylioglypha tonica

  摘要：

  An antibiotic-producing Penicillium sp. strain was isolated from cocoons of the leaf-rolling moth, Dactylioglypha tonica. An antibacterial compound was isolated from the cultured broth, and the chemical structure of the principle was determined by spectroscopic data to be a derivative of isocoumarincarboxylate.

  DOI：

  10.1271/bbb.64.2216
• 作为产物：
  描述：

  KY-1 在 platinum(IV) oxide 氢气 作用下， 生成 3-Heptyl-6,8-dihydroxy-isochroman-7-carboxylic acid
  参考文献：
  名称：

  An Antibiotic fromPenicilliumsp. Covering the Cocoon of the Leaf-rolling Moth,Dactylioglypha tonica

  摘要：

  An antibiotic-producing Penicillium sp. strain was isolated from cocoons of the leaf-rolling moth, Dactylioglypha tonica. An antibacterial compound was isolated from the cultured broth, and the chemical structure of the principle was determined by spectroscopic data to be a derivative of isocoumarincarboxylate.

  DOI：

  10.1271/bbb.64.2216

文献信息

• An Antibiotic from<i>Penicillium</i>sp. Covering the Cocoon of the Leaf-rolling Moth,<i>Dactylioglypha tonica</i>
  作者：Nobutaka IMAMURA、Takahiro ISHIKAWA、Tomoko OHTSUKA、Kazumi YAMAMOTO、Masato DEKURA、Hiroshi FUKAMI、Ritsuo NISHIDA

  DOI：10.1271/bbb.64.2216

  日期：2000.1

  An antibiotic-producing Penicillium sp. strain was isolated from cocoons of the leaf-rolling moth, Dactylioglypha tonica. An antibacterial compound was isolated from the cultured broth, and the chemical structure of the principle was determined by spectroscopic data to be a derivative of isocoumarincarboxylate.