6-O-p-bromobenzoylchaetochromin A 5,5',6,8,8'-pentamethyl ether | 112283-36-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 6-O-p-bromobenzoylchaetochromin A 5,5',6,8,8'-pentamethyl ether
• 英文别名: [(2R,3R)-5,8-dimethoxy-2,3-dimethyl-4-oxo-9-[(2R,3R)-5,6,8-trimethoxy-2,3-dimethyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl]-2,3-dihydrobenzo[g]chromen-6-yl] 4-bromobenzoate
• CAS: 112283-36-0
• 化学式: C₄₂H₃₉BrO₁₁
• 分子量: 799.669
• InChiKey: RQPNSYJBLZHMBX-XRXFAXGQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  54
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  125
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  chaetochromin A 5,5',8,8'-tetramethylether 以 吡啶 、 乙醚 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 6-O-p-bromobenzoylchaetochromin A 5,5',6,8,8'-pentamethyl ether
  参考文献：
  名称：

  Absolute configurations of chaetochromin A and related bis(naphtho-.GAMMA.-pyrone) mold metabolites.

  摘要：

  The absolute configuration of chaetochromin A (1) was established by X-ray analysis of the 6-Ο-p-bromobenzoate (15) of the 5, 5', 6', 8, 8'-pentamethyl ether (14). The stereochemistry of the 9-9' bond was proved to be S, in agreement with the result obtained by the application of the exciton chirality method. From the circular dichroism spectra, the absolute configurations of chaetochromins B, C and D (2-4) and cephalochromin (8) were proved to be S, while those of ustilaginoidins A, B, and C (5-7) were R. The stereochemistry of other bis (naphtho-γ-pyrones) is discussed.

  DOI：

  10.1248/cpb.35.4049

文献信息

• KOYAMA, KIYOTAKA;NATORI, SHINSAKU;IITAKA, YOICHI, CHEM. AND PHARM. BULL., 35,(1987) N 10, 4049-4055
  作者：KOYAMA, KIYOTAKA、NATORI, SHINSAKU、IITAKA, YOICHI

  DOI：——

  日期：——