(1⁷R,2S)-11t'-(3-dimethylamino-β-D-xylo-3,4,6-trideoxy-hexopyranosyloxy)-2r',3t'-epoxy-5t'-ethyl-9t'-hydroxy-1⁵c,2,4c',10c'-tetramethyl-(1⁷rH)-1^6,7-dihydro-1⁵H-6-oxa-1(3,7)-[2]pyrindina-cycloundecaphan-7-one | 72517-75-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1⁷R,2S)-11t'-(3-dimethylamino-β-D-xylo-3,4,6-trideoxy-hexopyranosyloxy)-2r',3t'-epoxy-5t'-ethyl-9t'-hydroxy-1⁵c,2,4c',10c'-tetramethyl-(1⁷rH)-1^6,7-dihydro-1⁵H-6-oxa-1(3,7)-[2]pyrindina-cycloundecaphan-7-one
• 英文别名: 12-[4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-ethyl-10-hydroxy-2,5,11,15-tetramethyl-3,7-dioxa-19-azatetracyclo[14.3.1.02,4.013,17]icosa-1(19),16(20),17-trien-8-one；12-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-ethyl-10-hydroxy-2,5,11,15-tetramethyl-3,7-dioxa-19-azatetracyclo[14.3.1.02,4.013,17]icosa-1(19),16(20),17-trien-8-one
• CAS: 72517-75-0
• 化学式: C₃₁H₄₈N₂O₇
• 分子量: 560.731
• InChiKey: CJZRPZBSBXIIFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  40
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (1⁷R,2S)-11t'-(3-dimethylamino-β-D-xylo-3,4,6-trideoxy-hexopyranosyloxy)-2r',3t'-epoxy-5t'-ethyl-9t'-hydroxy-1⁵c,2,4c',10c'-tetramethyl-(1⁷rH)-1^6,7-dihydro-1⁵H-6-oxa-1(3,7)-[2]pyrindina-cycloundecaphan-7-one 在 吡啶 作用下， 生成 (1⁷R,3S)-11c'-(3-dimethylamino-β-D-xylo-3,4,6-trideoxy-hexopyranosyloxy)-5c'-ethyl-3r',9c'-dihydroxy-1⁵c,4t',10t'-trimethyl-2-methylene-(1⁷rH)-1^6,7-dihydro-1⁵H-6-oxa-1(3,7)-[2]pyrindina-cycloundecaphan-7-one
  参考文献：
  名称：

  SCH 23831，一种来自罗氏沼虾的新型大环内酯

  摘要：

  基于光谱数据，将由罗氏沼虾（Micromonospora rosaria）精心设计的新型大分子脂质SCH 23831分配为结构2。还讨论了几种派生工具。

  DOI：

  10.1016/s0040-4039(01)86410-8

文献信息

• SCH 23831, a novel macrolide from
  作者：Mohindar S Puar、R Brambilla、P Bartner、D Schumacher、R.S Jaret

  DOI：10.1016/s0040-4039(01)86410-8

  日期：1979.1

  A novel macrolid elaborated by Micromonospora rosaria, SCH 23831, was assigned structure 2 on the basis of spectroscopic data. Several derivatives are also discussed.

  基于光谱数据，将由罗氏沼虾（Micromonospora rosaria）精心设计的新型大分子脂质SCH 23831分配为结构2。还讨论了几种派生工具。