(12S,3E,5S,13E,15Z)-7t-acetoxy-111-chloro-15,9c,11t-trihydroxy-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]phenoxazina-cyclooctadecaphane-3,13,15-triene-11,6,17-trione | 7587-04-4

• 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-111-chloro-15,9c,11t-trihydroxy-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]phenoxazina-cyclooctadecaphane-3,13,15-triene-11,6,17-trione
• 英文别名: (1²S,3E,5S,13E,15Z)-7t-acetoxy-1¹¹-chloro-1⁵,9c,11t-trihydroxy-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]phenoxazina-cyclooctadecaphane-3,13,15-triene-1^1,6,17-trione；6'-chloro-4',O¹-didehydro-4'H-benzo[5',6'][1,4]oxazino[2',3':3,4]-4-deoxy-rifamycin；4'-chloro-1',O¹-didehydro-rifamycin-VIII
• CAS: 7587-04-4
• 化学式: C₄₃H₄₇ClN₂O₁₂
• 分子量: 819.305
• InChiKey: ZNFULQZBLVMDFT-DZKKWRJRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  58.0
• 可旋转键数：
  2.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  203.95
• 氢给体数：
  4.0
• 氢受体数：
  13.0

反应信息

• 作为产物：
  描述：

  利福霉素 、 4-氯-2-氨基苯酚 生成 (12S,3E,5S,13E,15Z)-7t-acetoxy-111-chloro-15,9c,11t-trihydroxy-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]phenoxazina-cyclooctadecaphane-3,13,15-triene-11,6,17-trione
  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