(1²S,3E,5²R,6R,9E,11Z)-5⁴c'-acetoxy-1⁵,7t-dihydroxy-1^2,4,5³t',5⁵t',6r,8t,12-heptamethyl-(5²r'H,5⁶t'H)-5-tetrahydro-2-oxa-14-aza-1(2,7)-naphtho[2,1-b]furana-5(2,6)-pyrana-cyclotetradecaphane-3,9,11-triene-1^1,6,9,13-tetraone | 17555-49-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并呋喃类
• 英文名称: (1²S,3E,5²R,6R,9E,11Z)-5⁴c'-acetoxy-1⁵,7t-dihydroxy-1^2,4,5³t',5⁵t',6r,8t,12-heptamethyl-(5²r'H,5⁶t'H)-5-tetrahydro-2-oxa-14-aza-1(2,7)-naphtho[2,1-b]furana-5(2,6)-pyrana-cyclotetradecaphane-3,9,11-triene-1^1,6,9,13-tetraone
• 英文别名: O¹,O⁴-didehydro-(26βH,27βO)-23,27-anhydro-35-nor-rifamycin
• CAS: 17555-49-6
• 化学式: C₃₆H₄₁NO₁₁
• 分子量: 663.722
• InChiKey: KEBXXFXMONHHMV-CODLPCROSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.02
• 重原子数：
  48.0
• 可旋转键数：
  1.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  174.76
• 氢给体数：
  3.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  利福霉素 在 甲酸 作用下， 生成 (1²S,3E,5²R,6R,9E,11Z)-5⁴c'-acetoxy-1⁵,7t-dihydroxy-1^2,4,5³t',5⁵t',6r,8t,12-heptamethyl-(5²r'H,5⁶t'H)-5-tetrahydro-2-oxa-14-aza-1(2,7)-naphtho[2,1-b]furana-5(2,6)-pyrana-cyclotetradecaphane-3,9,11-triene-1^1,6,9,13-tetraone
  参考文献：
  名称：

  Zur Kenntnis von Rifamycin-S.-Reaktionen des Ansaringes. Modifikationen von Antibiotica, 8. Mitteilung [1]

  摘要：

  AbstractThe reactivity of rifamycin‐S with respect to acids, bases, and oxydizing or reducing agents has been studied. A number of compounds resulting from these experiments as well as derivatives of rifamycin‐S resulting from acylation and ketalisation reactions are described.

  DOI：

  10.1002/hlca.19730560719