异狼毒素 | 93859-63-3

• 物质功能分类: 天然产物 - 黄酮类化合物
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 中文名称: 异狼毒素
• 英文名称: isochamaejasmin
• 英文别名: (2S,3R)-3-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
• CAS: 93859-63-3
• 化学式: C₃₀H₂₂O₁₀
• 分子量: 542.499
• InChiKey: RNQBLQALVMHBKH-SQYWJIFTSA-N

物化性质

• 沸点：
  932.6±65.0 °C(Predicted)
• 密度：
  1.594±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  40
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  174
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  异狼毒素 生成 [4-[(2S,3R)-5,7-diacetyloxy-3-[(2R,3S)-5,7-diacetyloxy-2-(4-acetyloxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-4-oxo-2,3-dihydrochromen-2-yl]phenyl] acetate
  参考文献：
  名称：

  DREWES, SIEGFRIED E.;HUDSON, NEALE A.;BATES, ROBERT B.;LINZ, GARY S., J. CHEM. SOC. PERKIN TRANS., 1,(1987) N 12, 2809-2813

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2',3,3'-四氢-5,5',7,7'-四羟基-2,2'-二(4-羟基苯基)-3,3'-联[4H-1-苯并吡喃]-4,4'-二酮 在 sodium hydroxide 作用下， 反应 5.0h， 以2 mg的产率得到异狼毒素
  参考文献：
  名称：

  Stereostructures of two biflavanones from Stellera chamaejasme L.

  摘要：

  Two C-3/C-3"-biflavanones, chamaejasmine (1) and isochamaejasmin (2), were isolated from the roots of Stellera chamaejasme L. (Thymelaeaceae) and their stereostructures were elucidated on the basis of spectral and chemical evidence. Chamaejasmine was found to be a mixture of (-) and (+) forms (68 : 32) by high-performance liquid chromatographic analysis with a column for optical resolution.

  DOI：

  10.1248/cpb.34.3249

文献信息

• STRUCTURE OF ISOCHAMAEJASMIN FROM<i>STELLERA CHAMAEJASME</i>L.
  作者：Masatake Niwa、Xiang-Fang Chen、Guo-Quan Liu、Hiroshi Tatematsu、Yoshimasa Hirata

  DOI：10.1246/cl.1984.1587

  日期：1984.9.5

  A new C-3/C-3″-biflavanone named isochamaejasmin has been isolated from Stellera chamaejasme L. (Thymelaeaceae) and its structure has been elucidated by spectroscopic and chemical methods. Furthermore, the stereochemistry of some C-3/C-3″-biflavanones including isochamaejasmin was discussed.
• DREWES, SIEGFRIED E.;HUDSON, NEALE A.;BATES, ROBERT B.;LINZ, GARY S., J. CHEM. SOC. PERKIN TRANS., 1,(1987) N 12, 2809-2813
  作者：DREWES, SIEGFRIED E.、HUDSON, NEALE A.、BATES, ROBERT B.、LINZ, GARY S.

  DOI：——

  日期：——
• Stereostructures of two biflavanones from Stellera chamaejasme L.
  作者：MASATAKE NIWA、SEIKO OTSUJI、HIROSHI TATEMATSU、GUO-QUAN LIU、XIANG-FANG CHEN、YOSHIMASA HIRATA

  DOI：10.1248/cpb.34.3249

  日期：——

  Two C-3/C-3"-biflavanones, chamaejasmine (1) and isochamaejasmin (2), were isolated from the roots of Stellera chamaejasme L. (Thymelaeaceae) and their stereostructures were elucidated on the basis of spectral and chemical evidence. Chamaejasmine was found to be a mixture of (-) and (+) forms (68 : 32) by high-performance liquid chromatographic analysis with a column for optical resolution.