[(4aR,6S,7R,8S,8aS)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] hydrogen sulfate | 1233717-60-6

• 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: [(4aR,6S,7R,8S,8aS)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] hydrogen sulfate
• CAS: 1233717-60-6
• 化学式: C₂₈H₂₄O₁₃S
• 分子量: 600.557
• InChiKey: UPOCMNQQLYJERJ-ITAWJTAQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  42
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  207
• 氢给体数：
  5
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  [(4aR,6S,7R,8S,8aS)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] hydrogen sulfate 在 Amberlite IR-120(H+) 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以100%的产率得到isovitexin 2"-O-sulfate
  参考文献：
  名称：

  EP2385049

  摘要：

  公开号：
• 作为产物：
  描述：

  6-[(4aR,6S,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 在 三氧化硫吡啶 作用下， 以 吡啶 为溶剂， 反应 2.0h， 以50%的产率得到[(4aR,6S,7R,8S,8aS)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] hydrogen sulfate
  参考文献：
  名称：

  EP2385049

  摘要：

  公开号：

文献信息

• SULFATED C-GLYCOSIDE, METHOD FOR ISOLATING SAME AND METHOD FOR SYNTHESIZING SAME
  申请人：Ishida Hitoshi

  公开号：US20120029183A1

  公开（公告）日：2012-02-02

  Provided are a sulfated C-glycoside which is a novel compound serving as a precursor of chafuroside and chafuroside analogs; a method for efficiently producing the sulfated C-glycoside; and a method for efficiently producing chafuroside and chafuroside analogs using said sulfated C-glycoside. A sulfated C-glycoside represented by general formula (A1) or (B1) [wherein R 1 , R 2 and R 3 independently represent each a hydrogen atom or an OH group] is obtained by extracting tea leaves or tea tannins with water, a lower alcohol solvent having 1 to 3 carbon atoms or a liquid mixture comprising the same. Alternatively, the sulfated C-glycoside is produced by reacting a flavone C-glycoside such as isovitexin or vitexin with a sulfate group-introducing agent to thereby sulfate the flavone C-glycoside. By heating the sulfated C-glycoside thus obtained, chafuroside and chafuroside analogs are efficiently produced.
• US8367622B2
  申请人：——

  公开号：US8367622B2

  公开（公告）日：2013-02-05
• EP2385049
  申请人：——

  公开号：——

  公开（公告）日：——