sorocein A | 137460-77-6

• 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: sorocein A
• 英文别名: (3As,13bs,13cr)-6-[(e)-2-(2,4-dihydroxyphenyl)vinyl]-8a-(5-hydroxy-2,2-dimethyl-2h-chromen-8-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3ah-benzo[3,4]isochromeno[1,8-bc]chromene-4,11-diol；(9S,13S,21R)-17-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-1-(5-hydroxy-2,2-dimethylchromen-8-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,11,14,16,18-heptaene-5,15-diol
• CAS: 137460-77-6
• 化学式: C₃₉H₃₄O₈
• 分子量: 630.694
• InChiKey: YSIMPAVIBIIDOC-HEWGXANASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  47
• 可旋转键数：
  3
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  129
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 sorocein A 在 吡啶 作用下， 反应 16.0h， 以60 mg的产率得到Acetic acid (3aS,13bS,13cR)-11-acetoxy-8a-(5-acetoxy-2,2-dimethyl-2H-chromen-8-yl)-6-[(E)-2-(2,4-diacetoxy-phenyl)-vinyl]-2-methyl-1,8a,13b,13c-tetrahydro-3aH-8,9-dioxa-benzo[fg]naphthacen-4-yl ester
  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.