soroceal | 137460-76-5

• 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: soroceal
• 英文别名: (9S,13S,21R)-7,17-dihydroxy-1-(5-hydroxy-2,2-dimethylchromen-8-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,10,14(19),15,17-heptaene-5-carbaldehyde
• CAS: 137460-76-5
• 化学式: C₃₂H₂₈O₇
• 分子量: 524.57
• InChiKey: RYHSERHDCIACPJ-BUJUPTBPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  39
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  soroceal 、 硫酸二甲酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 1.5h， 以8 mg的产率得到(3aS,13bS,13cR)-4,11-Dimethoxy-8a-(5-methoxy-2,2-dimethyl-2H-chromen-8-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3aH-8,9-dioxa-benzo[fg]naphthacene-6-carbaldehyde
  参考文献：
  名称：

  Three New Diels-Alder Type Adducts from the Roots of Sorocea bonplandii Baillon

  摘要：

  Three new ketalized Diels-Alder type adducts named soroceal (1), sorocein A (2), sorocein B (3), were isolated from the methanolic extract of the roots of Sorocea bonplandii. The structures were assigned on the basis of chemical and spectroscopic evidences.

  DOI：

  10.3987/com-91-5703

文献信息

• Three New Diels-Alder Type Adducts from the Roots of Sorocea bonplandii Baillon
  作者：Irena Messana、Irene Massana、Franco Ferrari、Franco Delle Monache、Rosendo A. Yunes、Joao B. Calixto、Terezinha Bisognin

  DOI：10.3987/com-91-5703

  日期：——

  Three new ketalized Diels-Alder type adducts named soroceal (1), sorocein A (2), sorocein B (3), were isolated from the methanolic extract of the roots of Sorocea bonplandii. The structures were assigned on the basis of chemical and spectroscopic evidences.