elengigallate

• 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: elengigallate
• 英文别名: 3,4,5-trihydroxy-benzoic acid-(3-phenyl-propyl ester)；3,4,5-Trihydroxy-benzoesaeure-(3-phenyl-propylester)；Gallussaeure-(3-phenyl-propylester)；3-phenylpropan-1-yl gallate；3-Phenylpropyl 3,4,5-trihydroxybenzoate；3-phenylpropyl 3,4,5-trihydroxybenzoate
• 化学式: C₁₆H₁₆O₅
• 分子量: 288.3
• InChiKey: OPLMDECSSJUIJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 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：

  elengigallate 在 盐酸 、 水 作用下， 以 甲醇 为溶剂， 生成 没食子酸
  参考文献：
  名称：

  Gallic acid esters from the stem bark of Mimusops elengi L.

  摘要：

  Phytochemical investigation of the ethanolic extract of the stem bark of Mimusops elengi L. (Sapotaceae) led to the isolation of new gallic acid esters, characterised as phenyl propanoxyl gallate (1), -D-glucopyranosyl (6'1'')--D-glucopyranosyl-4''-(4''-ethylphenyl) gallate (2), 2'-(1'''-geranyloxy)--D-glucopyranosyl (6'1'')--D-glucopyranosyl-4''-phenoxy gallate (3), -D-glucopyranosyl (6'1'')--D-glucopyranosyl 3,4,5-trihydroxy benzoate (4), -D-glucopyranosyl-(6'1'')--D-glucopyranosyl-4''-(4'''-n-butylphenyl) 3,4,5-trihydroxy benzoate (5), -D-glucopyranosyl(6'1'')--D-rhamnosyl 3,4,5-trihydroxy benzoate (6) and -D-(2'-phenyl glucopyranosyl)-(6'1'')-(2'', 4''-diphenylrhamnopyranosyl)-3,4,5-trihydroxylbenzoate (7), along with the known compounds: farnon-3-one, stigmasta-5-en-3--ol, olean-18-en-2-one-3-ol, lup-20(29)-en-3-ol and stigmasta-5-en-3-D-glucopyranoside. Their structures were elucidated on the basis of spectroscopic analyses and chemical reactions.

  DOI：

  10.1080/14786410902833989
• 作为产物：
  描述：

  没食子酸 、 alkaline earth salt of/the/ methylsulfuric acid 在 2-萘磺酸 、 苯甲醚 、 硝基苯 作用下， 生成 elengigallate
  参考文献：
  名称：

  Direct Esterification of Gallic Acid with Higher Alcohols

  摘要：

  DOI：

  10.1021/ja01200a050

文献信息

• [EN] GALLIC ACID ESTERS AND COMPOSITIONS COMPRISING THEREOF<br/>[FR] ESTERS D'ACIDE GALLIQUE ET COMPOSITIONS COMPRENANT CEUX-CI
  申请人：GHISALBERTI CARLO

  公开号：WO2008065527A2

  公开（公告）日：2008-06-05

  [EN] Gallates formed by condensation of gallic acid with a hydroxyl-containing fragrance for the use in a composition suitable for disinfecting and seboregulating purposes.
  [FR] L'invention concerne des gallates formés par condensation d'acide gallique avec une fragrance contenant un groupe hydroxyle, destinés à être utilisés dans une composition désinfectante et séborégulatrice.
• Direct Esterification of Gallic Acid with Higher Alcohols
  作者：Waldo C. Ault、James K. Weil、George C. Nutting、J. C. Cowan

  DOI：10.1021/ja01200a050

  日期：1947.8
• Gallic acid esters from the stem bark of <i>Mimusops elengi</i> L.
  作者：Nida Akhtar、Mohd. Ali、Mohd. Sarwar Alam

  DOI：10.1080/14786410902833989

  日期：2010.6.15

  Phytochemical investigation of the ethanolic extract of the stem bark of Mimusops elengi L. (Sapotaceae) led to the isolation of new gallic acid esters, characterised as phenyl propanoxyl gallate (1), -D-glucopyranosyl (6'1'')--D-glucopyranosyl-4''-(4''-ethylphenyl) gallate (2), 2'-(1'''-geranyloxy)--D-glucopyranosyl (6'1'')--D-glucopyranosyl-4''-phenoxy gallate (3), -D-glucopyranosyl (6'1'')--D-glucopyranosyl 3,4,5-trihydroxy benzoate (4), -D-glucopyranosyl-(6'1'')--D-glucopyranosyl-4''-(4'''-n-butylphenyl) 3,4,5-trihydroxy benzoate (5), -D-glucopyranosyl(6'1'')--D-rhamnosyl 3,4,5-trihydroxy benzoate (6) and -D-(2'-phenyl glucopyranosyl)-(6'1'')-(2'', 4''-diphenylrhamnopyranosyl)-3,4,5-trihydroxylbenzoate (7), along with the known compounds: farnon-3-one, stigmasta-5-en-3--ol, olean-18-en-2-one-3-ol, lup-20(29)-en-3-ol and stigmasta-5-en-3-D-glucopyranoside. Their structures were elucidated on the basis of spectroscopic analyses and chemical reactions.