| 1138107-54-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• CAS: 1138107-54-6
• 化学式: C₃₉H₅₈N₄O₈
• 分子量: 710.912
• InChiKey: VAZAEDJXEYMSSU-LDWYTRKMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.73
• 重原子数：
  51.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  168.01
• 氢给体数：
  3.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  4-苯基-1,2,4-三唑啉-3,5-二酮 、 tulearin A 以 二氯甲烷 为溶剂， 反应 2.0h， 以25%的产率得到
  参考文献：
  名称：

  Tulearins A, B, and C; structures and absolute configurations

  摘要：

  The relative configuration of tulearin A (1) is determined by X-ray diffraction analysis of a cyclic carbonate derivative 2 and the absolute configuration (2R,3R,5S,8S,9S,15R,17S) from the 9-MTPA-esters 1R and 1S is determined using the modified Mosher's method. A mechanism for the unexpected formation of carbonate 2 is suggested. Two N-phenyltriazolinedione derivatives 3 and 4 are also prepared. Two additional tulearins, B and C (5 and 6) are isolated in very small amounts and their structures are elucidated by spectroscopic means. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.04.028

文献信息

• Tulearins A, B, and C; structures and absolute configurations
  作者：Ashgan Bishara、Amira Rudi、Israel Goldberg、Maurice Aknin、Yoel Kashman

  DOI：10.1016/j.tetlet.2009.04.028

  日期：2009.7

  The relative configuration of tulearin A (1) is determined by X-ray diffraction analysis of a cyclic carbonate derivative 2 and the absolute configuration (2R,3R,5S,8S,9S,15R,17S) from the 9-MTPA-esters 1R and 1S is determined using the modified Mosher's method. A mechanism for the unexpected formation of carbonate 2 is suggested. Two N-phenyltriazolinedione derivatives 3 and 4 are also prepared. Two additional tulearins, B and C (5 and 6) are isolated in very small amounts and their structures are elucidated by spectroscopic means. (C) 2009 Elsevier Ltd. All rights reserved.