(1²S,3E,5S,13E,15Z)-7t-acetoxy-1^5,6,11,9c,11t-pentahydroxy-5r-methoxy-1^2,4,6t,8c,10c,12t,16-heptamethyl-1^7a-pyrrolidin-1-yl-(1^7aξ,1^10aξ)-1^8,9,10,10a-tetrahydro-1^7aH-2-oxa-1(2,7)-cyclopenta[b]furo[2',3':5,6]benzo[1,2-f]indola-cycloheptadecaphane-3,13,15-triene-1¹,17-dione | 51756-92-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (1²S,3E,5S,13E,15Z)-7t-acetoxy-1^5,6,11,9c,11t-pentahydroxy-5r-methoxy-1^2,4,6t,8c,10c,12t,16-heptamethyl-1^7a-pyrrolidin-1-yl-(1^7aξ,1^10aξ)-1^8,9,10,10a-tetrahydro-1^7aH-2-oxa-1(2,7)-cyclopenta[b]furo[2',3':5,6]benzo[1,2-f]indola-cycloheptadecaphane-3,13,15-triene-1¹,17-dione
• 英文别名: N,3-((1Ξ)-1-pyrrolidin-1-yl-cyclopentane-1r,2ξ-diyl)-rifamycin
• CAS: 51756-92-4
• 化学式: C₄₆H₆₀N₂O₁₂
• 分子量: 832.989
• InChiKey: NOBSQSZJFLBNDV-GQFIPFRASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.22
• 重原子数：
  60.0
• 可旋转键数：
  3.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  195.76
• 氢给体数：
  5.0
• 氢受体数：
  13.0

反应信息

• 作为产物：
  描述：

  利福霉素 、 1-(cyclopent-2-en-1-yl)pyrrolidine 以 1,4-二氧六环 为溶剂， 生成 (1²S,3E,5S,13E,15Z)-7t-acetoxy-1^5,6,11,9c,11t-pentahydroxy-5r-methoxy-1^2,4,6t,8c,10c,12t,16-heptamethyl-1^7a-pyrrolidin-1-yl-(1^7aξ,1^10aξ)-1^8,9,10,10a-tetrahydro-1^7aH-2-oxa-1(2,7)-cyclopenta[b]furo[2',3':5,6]benzo[1,2-f]indola-cycloheptadecaphane-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