(2R,3S:6R,7S,8S)-3,7-diacetoxy-9-methoxy-10-<(2R,3S,4S)-2,3-trans-3,4-trans-3-acetoxy-3',4',7-trimethoxyflavan-4-yl>-2,6-bis(3,4-dimethoxyphenyl)-8-(2,4-dimethoxyphenyl)-2,3-trans-6,7-trans-7,8-cis-3,4,7,8-tetrahydro-2H,6H-pyrano<2,3-f>chromene | 127612-68-4

• 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:6R,7S,8S)-3,7-diacetoxy-9-methoxy-10-<(2R,3S,4S)-2,3-trans-3,4-trans-3-acetoxy-3',4',7-trimethoxyflavan-4-yl>-2,6-bis(3,4-dimethoxyphenyl)-8-(2,4-dimethoxyphenyl)-2,3-trans-6,7-trans-7,8-cis-3,4,7,8-tetrahydro-2H,6H-pyrano<2,3-f>chromene
• 英文别名: (2R,3S:6R,7S,8S)-2,3-trans-6,7-trans-7,8-cis-3,7-diacetoxy-10-<(2R,3S,4S)-2,3-trans-3,4-trans-3-acetoxy-3',4',7-trimethoxyflavan-4-yl>-8-(2,4-dimethoxyphenyl)-2,6-bis-(3,4-dimethoxyphenyl)-9-methoxy-3,4,7,8-tetrahydro-2H,6H-pyrano<2,3-f>chromene；[(2R,3S,4S,8R,9S)-3-acetyloxy-6-[(2R,3S,4S)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-4-(2,4-dimethoxyphenyl)-2,8-bis(3,4-dimethoxyphenyl)-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-h]chromen-9-yl] acetate
• CAS: 127612-68-4
• 化学式: C₆₁H₆₄O₁₉
• 分子量: 1101.17
• InChiKey: ZDCQCVUXEDJLEE-IPUFBTNSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  80
• 可旋转键数：
  21
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  199
• 氢给体数：
  0
• 氢受体数：
  19

反应信息

• 作为产物：
  描述：

  乙酸酐 、 (2R,3S,4S,8R,9S)-2,8-Bis-(3,4-dimethoxy-phenyl)-4-(2,4-dimethoxy-phenyl)-6-[(2R,3S,4S)-2-(3,4-dimethoxy-phenyl)-3-hydroxy-7-methoxy-chroman-4-yl]-5-methoxy-3,4,9,10-tetrahydro-2H,8H-pyrano[2,3-f]chromene-3,9-diol 以 吡啶 为溶剂， 以8 mg的产率得到(2R,3S:6R,7S,8S)-3,7-diacetoxy-9-methoxy-10-<(2R,3S,4S)-2,3-trans-3,4-trans-3-acetoxy-3',4',7-trimethoxyflavan-4-yl>-2,6-bis(3,4-dimethoxyphenyl)-8-(2,4-dimethoxyphenyl)-2,3-trans-6,7-trans-7,8-cis-3,4,7,8-tetrahydro-2H,6H-pyrano<2,3-f>chromene
  参考文献：
  名称：

  Structure and synthesis of phlobatannins related to the (4β,6:4α,8)-bis-fisetinidol-catechin profisetinidin triflavanoid

  摘要：

  Several members of the class of natural phlobatannins, representing the products of stereoselective pyran rearrangement of the 2,3-trans-3,4-trans- and 3,4-cis-flavan-3-ol units in the (4 beta,6:4 alpha,8)-bis-fisetinidol-catechin triflavanoid have been characterized. These comprise a functionalized hexahydro-dipyrano-[2,3-f:2',3'-h]-chromene, two fisetinidol-(4 alpha,10)-tetrahydropyrano[2,3-f]chromenes and a pair of fisetinidol-(4 alpha,10)-tetrahydropyrano[3,2-g]chromenes. The proposed structures of these novel compounds were confirmed by synthesis via base-catalysed conversion of the 4-O(E)-methyl ether of their presumed triflavanoid biogenetic precursor. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0031-9422(96)00114-8

文献信息

• STEYNBERG, JAN P.;STEENKAMP, JACOBUS A.;BURGER, JOHANN F. W.;YOUNG, DESMO+, J. CHEM. SOC. PERKIN TRANS. PT 1,(1990) N, C. 235-240
  作者：STEYNBERG, JAN P.、STEENKAMP, JACOBUS A.、BURGER, JOHANN F. W.、YOUNG, DESMO+

  DOI：——

  日期：——