3,7,4'-tri-O-methyl-5-O-acetyl-kaempferol | 107480-00-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 3,7,4'-tri-O-methyl-5-O-acetyl-kaempferol
• 英文别名: kaempferol 7,3,4'-trimethyl ether acetate；5-acetoxy-3,7-dimethoxy-2-(4-methoxy-phenyl)-chromen-4-one；5-Acetoxy-3,7-dimethoxy-2-(4-methoxy-phenyl)-chromen-4-on；[3,7-Dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl] acetate
• CAS: 107480-00-2
• 化学式: C₂₀H₁₈O₇
• 分子量: 370.359
• InChiKey: YJYKOGVIOJTPHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  山奈酚 在 甲醇 、 乙醚 、 硫酸 作用下， 生成 3,7,4'-tri-O-methyl-5-O-acetyl-kaempferol
  参考文献：
  名称：

  Tsukamoto; Tominaga, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1953, vol. 73, p. 1172

  摘要：

  DOI：

文献信息

• Other chemical constituents isolated from Solanum crinitum Lam. (Solanaceae)
  作者：Marli T. F. Cornelius、Mário G. de Carvalho、Tania M. S. da Silva、Cassia C. F. Alves、Ana P. N. Siston、Kelly Z. Alves、Carlos M. R. Sant'Anna、Mario B. Neto、Marcos N. Eberlin、Raimundo Braz-Filho

  DOI：10.1590/s0103-50532010001200007

  日期：——

  The phytochemical investigation of Solanum crinitum Lam led to the isolation from the fruit trichomes of four flavonoids, tiliroside (1), astragalin (2), kaempferol (3), biochanin A-7-O-beta-D-apiofuranosyl-(1 -> 5)-beta-D-apiofuranosyl-(1 -> 6)-beta-D-glucopyranoside (7), along with 4-hydroxybenzoic acid (12), and four cinnamic acid derivatives, cis- and trans-coumaric acids (10 and 11) and cis- and trans- ethyl coumarate (8 and 9). Three tri-glycosyl-steroidal alkaloids, solamargine (13), 20-epi-solamargine (14) and solasonine (16) were isolated from the methanolic extract of the green fruits. The derivatives 3,5,7,4'-tretra-O-methyl-kaempferol (4), 3,7,4'-tri-O-methyl-kaempferol (5), 3,7,4'-tri-O-methyl-5-O-acetyl-kaempferol (6), the peracetyl-epi-solamargine (15) and peracetyl-solasonine (17) were prepared. The structures were established through the analysis of their spectral data. The complete H-1 and C-13 NMR data assignments of the new peracetyl derivatives of the alkaloids were made.
• Tsukamoto; Tominaga, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1953, vol. 73, p. 1172
  作者：Tsukamoto、Tominaga

  DOI：——

  日期：——