[(2R,3S)-8-[(2R,3S,4R)-3-acetyloxy-8-[(2R,3S,4S)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl] acetate | 25711-50-6

• 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: [(2R,3S)-8-[(2R,3S,4R)-3-acetyloxy-8-[(2R,3S,4S)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl] acetate
• CAS: 25711-50-6；88269-08-3；90582-51-7；97233-65-3；97233-67-5；105561-66-8；126108-82-5
• 化学式: C₆₃H₆₈O₂₁
• 分子量: 1161.22
• InChiKey: PQMYRYXMWJWLGO-YJPLGKPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  84
• 可旋转键数：
  23
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  217
• 氢给体数：
  0
• 氢受体数：
  21

反应信息

• 作为产物：
  描述：

  原花青素C2 生成 [(2R,3S)-8-[(2R,3S,4R)-3-acetyloxy-8-[(2R,3S,4S)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl] acetate
  参考文献：
  名称：

  KOLODZIEJ, HERBERT, PHYTOCHEMISTRY, 28,(1989) N2, C. 3487-3492

  摘要：

  DOI：

文献信息

• Delcour, Jan. A.; Ferreira, Daneel; Roux, David G., Journal of the Chemical Society. Perkin transactions I, 1983, # 8, p. 1711 - 1717
  作者：Delcour, Jan. A.、Ferreira, Daneel、Roux, David G.

  DOI：——

  日期：——
• Regio- and stereoselective oxidation of flavan-3-ol- 4-arylflavan-3-ol- and biflavanoid derivatives with 2,3-dichloro-56-dicyano-1,4-benzoquinone (DDQ)
  作者：Jacobus A. Steenkamp、C.Hendrik L. Mouton、Daneel Ferreira

  DOI：10.1016/s0040-4020(01)82322-x

  日期：1991.8

  The phenolic methyl ethers of flavan-3-ols, 4-beta-arylflavan-3-ols, and (-)-fisetinidol-(4-beta,8)-(+)-catechin biflavanoids are susceptible to regio- and stereoselective methoxylation at C-4 in moderate yields with DDQ in CHCl3-MeOH solution. The observed asymmetric induction with exclusive formation of 2,4-trans products is compatible with the intermediacy of a diastereogenic donor-acceptor interaction, DDQ acting as the acceptor and oxidant. The 4-funtionalized analogues are of both synthetic and degradative significance in condensed tannin chemistry.
• KOLODZIEJ, HERBERT, PHYTOCHEMISTRY, 28,(1989) N2, C. 3487-3492
  作者：KOLODZIEJ, HERBERT

  DOI：——

  日期：——