(1R,3R,4R,7R,9R,11R,12R,15R,17R,19R,20R,23R,25R,27S,28R,30R,32S,33R,35R,37S,38R,40R,42S,43R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R)-28,33,38,43-tetrakis(hydroxymethyl)-2,5,8,10,13,16,18,21,24,26,29,31,34,36,39,41,44-heptadecaoxaundecacyclo[40.2.2.227,30.232,35.237,40.14,9.112,17.120,25.03,7.011,15.019,23]pentapentacontane-45,46,47,48,49,50,51,52,53,54,55-undecol | 124356-20-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R,3R,4R,7R,9R,11R,12R,15R,17R,19R,20R,23R,25R,27S,28R,30R,32S,33R,35R,37S,38R,40R,42S,43R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R)-28,33,38,43-tetrakis(hydroxymethyl)-2,5,8,10,13,16,18,21,24,26,29,31,34,36,39,41,44-heptadecaoxaundecacyclo[40.2.2.227,30.232,35.237,40.14,9.112,17.120,25.03,7.011,15.019,23]pentapentacontane-45,46,47,48,49,50,51,52,53,54,55-undecol
• CAS: 124356-20-3
• 化学式: C₄₂H₆₄O₃₂
• 分子量: 1080.95
• InChiKey: AYFLBTUWWOKPGG-FOUAGVGXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.09
• 重原子数：
  74.0
• 可旋转键数：
  4.0
• 环数：
  24.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  460.36
• 氢给体数：
  15.0
• 氢受体数：
  32.0

反应信息

• 作为产物：
  描述：

  6^A,6^B,6^C-tri(O-tosyl) β-cyclodextrin 在 barium dihydroxide 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以69.4%的产率得到(1R,3R,4R,7R,9R,11R,12R,15R,17R,19R,20R,23R,25R,27S,28R,30R,32S,33R,35R,37S,38R,40R,42S,43R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R)-28,33,38,43-tetrakis(hydroxymethyl)-2,5,8,10,13,16,18,21,24,26,29,31,34,36,39,41,44-heptadecaoxaundecacyclo[40.2.2.227,30.232,35.237,40.14,9.112,17.120,25.03,7.011,15.019,23]pentapentacontane-45,46,47,48,49,50,51,52,53,54,55-undecol
  参考文献：
  名称：

  Specific preparation and structure determination of 3A,3C,3E-tri-O-sulfonyl-.beta.-cyclodextrin

  摘要：

  DOI：

  10.1021/jo00290a016

文献信息

• FUJITA, KAHEE;TAHARA, TSUTOMU;YAMAMURA, HATSUO;IMOTO, TAIJI;KOGA, TOSHITA+, J. ORG. CHEM., 55,(1990) N, C. 877-880
  作者：FUJITA, KAHEE、TAHARA, TSUTOMU、YAMAMURA, HATSUO、IMOTO, TAIJI、KOGA, TOSHITA+

  DOI：——

  日期：——