(2R,4R,8S,13R,15R,19S)-8,19-二丁基-4,15-二氯-2,13-二甲氧基三环[18.2.2.29,12]二十六碳-9,11,20,22(1),23,25-六烯-10,21,24,26-四醇 | 126693-93-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: (2R,4R,8S,13R,15R,19S)-8,19-二丁基-4,15-二氯-2,13-二甲氧基三环[18.2.2.29,12]二十六碳-9,11,20,22(1),23,25-六烯-10,21,24,26-四醇
• 英文名称: nostocyclophane D
• 英文别名: (2R,4R,8S,13R,15R,19S)-8,19-dibutyl-4,15-dichloro-2,13-dimethoxytricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-10,21,24,26-tetrol
• CAS: 126693-93-4
• 化学式: C₃₆H₅₄Cl₂O₆
• 分子量: 653.727
• InChiKey: FYBKUFIZQMYJHP-QENHJSLFSA-N

物化性质

• 熔点：
  242-243 °C
• 沸点：
  817.7±65.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  44
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  99.4
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2R,4R,8S,13R,15R,19S)-8,19-二丁基-4,15-二氯-2,13-二甲氧基三环[18.2.2.29,12]二十六碳-9,11,20,22(1),23,25-六烯-10,21,24,26-四醇 、 2,3,4,6-四乙酰氧基-alpha-D-吡喃葡萄糖溴化物 生成 [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,4R,8S,13R,15R,19S)-8,19-dibutyl-4,15-dichloro-21,24,26-trihydroxy-2,13-dimethoxy-10-tricyclo[18.2.2.29,12]hexacosa-1(22),9(26),10,12(25),20,23-hexaenyl]oxy]oxan-2-yl]methyl acetate
  参考文献：
  名称：

  CHEN, JIAN LU;MOORE, RICHARD E.;PATTERSON, GREGORY M. L., J. ORG. CHEM., 56,(1991) N4, C. 4360-4364

  摘要：

  DOI：

文献信息

• Structures of nostocyclophanes A-D
  作者：Jian Lu Chen、Richard E. Moore、Gregory M. L. Patterson

  DOI：10.1021/jo00014a008

  日期：1991.7

  Nostocyclophanes A-D are the cytotoxins associated with the blue-green alga Nostoc linckia (Roth) Bornet ex Bornet & Flahault (UTEX B1932). The gross structures of these [7.7]paracyclophanes have been elucidated by mass and NMR spectral analyses and the relative and absolute stereochemistry of nostocyclophane D determined by X-ray crystallography. Since the CD spectra of the four compounds are essentially identical, nostocyclophanes A-D are proposed to have the same stereochemistry. The sugar unit in nostocyclophanes A and B has been shown to be D-glucose by semisynthesis of nostocyclophane B 9-O-(2,3,4,6-tetra-O-acetyl)-beta-D-glucopyranoside from nostocyclophanes B and D.