alnusdiol

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: alnusdiol
• 英文别名: (-)-(P,3S,5S)-alnusdiol；(9S,11S)-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,11,17-tetrol
• 化学式: C₁₉H₂₂O₄
• 分子量: 314.381
• InChiKey: YWQBDYGHWGZJOM-GJZGRUSLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  80.9
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  alnusdiol β-D-glucopyranoside 在 citrate buffer 、 glucosidase 作用下， 反应 23.0h， 以6 mg的产率得到alnusdiol
  参考文献：
  名称：

  Chemical Evaluation of Betula Species in Japan. III. Constituents of Betula maximowicziana.

  摘要：

  The constituents of Betula maximowicziana REGAL in Japan were identified as follows. Fresh leaves : 12β-acetoxy-20(S), 24(R)-epoxy-3α, 17α, 25-trihydroxydammarane, 20(S), 24(R)-epoxy-3α, 17α, 25-trihydroxydammarane, 3-epi-ocotillol II, 12β-acetoxy-20(S), 24(R)-epoxy-3α, 25-dihydroxydammarane, 12β-acetoxy-20(S), 24(R)-epxy-3α, 17α, 25-trihydroxydammarane 3-O-β-D-glucopyranoside (betulamaximoside A)*, 12β-acetoxy-20(S), 24(R)-epoxy-3α, 17α, 25-trihydroxydammarane 3-O-β-D-(6-O-acetyl)-glucopyranoside (betulamaximoside B)*, 12-O-acetyl-betulafolienetetraol, betulafolieneteraol, 6-methoxykaempferol, 6-methoxy-3-O-methylkaempferol and naringenin. Outer bark : betulin, betulin 3-O-caffeate, lupeol, lupane-3β, 20, 28-triol, lupane-3β, 20, 28-triol 3-O-caffeate, acetyl-oleanolic acid. Inner bark : acerogenin E, 16-hydroxy-17-O-methylacerogenin E*, alnusdiol β-D-glucopyranoside*, lyoniresinol 3α-O-α-L-rhamnopyranoside, 3, 4, 5-trimethoxyphenol β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside, benzyl alcohol β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside, (+)-catechin 7-O-β-D-xylopyranoside and monogynol A. Root bark : dammarenediol II 3-O-caffeate, dammar-24-ene-3β, 20(S), 26-triol 3-O-caffeate*, dammar-24-ene-3β, 20(S), 26-triol 3-O-coumarate*, oleanolic acid 3-O-caffeate. The six compounds with asterisks are new.

  DOI：

  10.1248/cpb.44.1748