isodopharicin A | 140366-57-0

• 英文名称: isodopharicin A
• 英文别名: [(1R,4S,6R,9R,10S,11S,13R)-6,13-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
• CAS: 140366-57-0
• 化学式: C₂₂H₃₂O₅
• 分子量: 376.493
• InChiKey: WHZLWVSNLYWKSA-YPIPWNFISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  isodopharicin A 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以60 mg的产率得到dihydroisodopharicin A
  参考文献：
  名称：

  Ent-kaurene diterpenoids, isodopharicins A, B and C inIsodon pharicus

  摘要：

  Three new ent-kaurene diterpenoids, isodopharicin A, B and C, were isolated from the whole plant of Isodon pharicus. The structures of isodopharicin A and B established by spectroscopic and chemical means were formulated as 11-beta-acetoxy-3-alpha,13-alpha-dihydroxy-ent-kaur-16-en-15-one and 3-alpha,11-beta-diacetoxy-13-alpha-hydroxy-ent-kaur-16-en-15-one, respectively. The structure isodopharicin C was confirmed by X-ray analysis to be 11-beta-acetoxy-13-alpha,19-dihydroxy-ent-kaur-16-en-15-one.

  DOI：

  10.1016/0031-9422(91)80093-g