(1S,2S,24R,25R,29R)-29-(furan-2-carbonyl)-7,8,9,12,13,14,17,18,19,25-decahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.12,6.05,10.011,28.016,21]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaene-4,22,27-trione | 124960-58-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: (1S,2S,24R,25R,29R)-29-(furan-2-carbonyl)-7,8,9,12,13,14,17,18,19,25-decahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.12,6.05,10.011,28.016,21]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaene-4,22,27-trione
• CAS: 124960-58-3
• 化学式: C₃₂H₂₂O₁₉
• 分子量: 710.515
• InChiKey: YMJLMKARRHHUGL-ZDKCAAKPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  51.0
• 可旋转键数：
  3.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  331.64
• 氢给体数：
  11.0
• 氢受体数：
  19.0

反应信息

• 作为反应物：
  描述：

  (1S,2S,24R,25R,29R)-29-(furan-2-carbonyl)-7,8,9,12,13,14,17,18,19,25-decahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.12,6.05,10.011,28.016,21]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaene-4,22,27-trione 、 丙酮 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 3.0h， 以8 mg的产率得到(10R,15R,16R,17S,33R)-33-(furan-2-carbonyl)-3,4,5,22,23,24,27,28,29-nonahydroxy-13,13-dimethyl-9,12,14,18,32-pentaoxaheptacyclo[14.13.3.117,21.02,7.010,15.020,25.026,30]tritriaconta-1(30),2,4,6,20(25),21,23,26,28-nonaene-8,19,31-trione
  参考文献：
  名称：

  Nonaka, Gen-ichiro; Ishimaru, Kanji; Azuma, Ryutaro, Chemical and pharmaceutical bulletin, 1989, vol. 37, # 8, p. 2071 - 2077

  摘要：

  DOI：
• 作为产物：
  描述：

  (1R,2R,20R,42S,46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-[(3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone 生成 (1S,2S,24R,25R,29R)-29-(furan-2-carbonyl)-7,8,9,12,13,14,17,18,19,25-decahydroxy-24-(hydroxymethyl)-3,23,26-trioxahexacyclo[13.10.3.12,6.05,10.011,28.016,21]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaene-4,22,27-trione
  参考文献：
  名称：

  NONAKA, GEN-ICHIRO;ISHIMARU, KANJI;AZUMA, RYUTARO;ISHIMATSU, MAKOTO;NISHI+, CHEM. AND PHARM. BULL., 37,(1989) N, C. 2071-2077

  摘要：

  DOI：