(12S,3E,5S,13E,15Z)-7t-acetoxy-112-ethyl-15,6,9c,11t-tetrahydroxy-5r-methoxy-12,4,6t,8c,10c,12t,16-heptamethyl-2-oxa-18-aza-1(2,7)-furo[2',3':5,6]benzo[1,2-a]phenazina-cyclooctadecaphane-3,13,15-triene-11,17-dione | 7587-31-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (12S,3E,5S,13E,15Z)-7t-acetoxy-112-ethyl-15,6,9c,11t-tetrahydroxy-5r-methoxy-12,4,6t,8c,10c,12t,16-heptamethyl-2-oxa-18-aza-1(2,7)-furo[2',3':5,6]benzo[1,2-a]phenazina-cyclooctadecaphane-3,13,15-triene-11,17-dione
• 英文别名: (1²S,3E,5S,13E,15Z)-7t-acetoxy-1¹²-ethyl-1^5,6,9c,11t-tetrahydroxy-5r-methoxy-1^2,4,6t,8c,10c,12t,16-heptamethyl-2-oxa-18-aza-1(2,7)-furo[2',3':5,6]benzo[1,2-a]phenazina-cyclooctadecaphane-3,13,15-triene-1¹,17-dione；5'-ethyl-quinoxalino[2',3':3,4]-4-deoxy-rifamycin；38-ethyl-rifazine
• CAS: 7587-31-7
• 化学式: C₄₅H₅₃N₃O₁₁
• 分子量: 811.929
• InChiKey: UMVUVFPSWNHWHQ-DAHKVMCFSA-N

物化性质

• 熔点：
  180-181 °C
• 沸点：
  965.5±65.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.25
• 重原子数：
  59.0
• 可旋转键数：
  3.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  206.6
• 氢给体数：
  5.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  利福霉素 、 3-ethylbenzene-1,2-diamine 生成 (12S,3E,5S,13E,15Z)-7t-acetoxy-112-ethyl-15,6,9c,11t-tetrahydroxy-5r-methoxy-12,4,6t,8c,10c,12t,16-heptamethyl-2-oxa-18-aza-1(2,7)-furo[2',3':5,6]benzo[1,2-a]phenazina-cyclooctadecaphane-3,13,15-triene-11,17-dione
  参考文献：
  名称：

  Zur Kenntnis von Rifamycin-S. Reaktionen des chinoiden Nucleus. Modifikationen von Antibiotica, 9. Mitteilung [1]

  摘要：

  AbstractThe reactivity of rifamycin‐S (1) with respect to nucleophilic reagents has been studied. Several new classes of derivatives, some of which show interesting biological activities, are described.

  DOI：

  10.1002/hlca.19730560720