norfluorocurarine-N_b-oxide | 52845-16-6

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 马钱子生物碱
• 英文名称: norfluorocurarine-N_b-oxide
• 英文别名: norfluorocurarine-N(4)-oxide；norfluorocurarine N-oxide；(1R,11S,12E,17S)-12-ethylidene-14-oxido-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carbaldehyde
• CAS: 52845-16-6
• 化学式: C₁₉H₂₀N₂O₂
• 分子量: 308.38
• InChiKey: MQLAHNRKHQNTNL-YQSADIFOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  47.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  去甲氟箭毒素 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以85%的产率得到norfluorocurarine-N_b-oxide
  参考文献：
  名称：

  Alkaloids from leaves and root bark ofErvatamia hirta

  摘要：

  During chemical investigation of the leaves and root bark of Ervatamia hirta, 33 alkaloids were isolated. Seven are new: six are the 'monomeric' alkaloids (E) 16-epi-normacusine B, (E) 16-epi-affinisine, O-acetyl-16-epi-affinisine, affinisine-N(4)-oxide, dehydro-16-epi-affinisine, norfluorocurarine-N(4)-oxide, and the seventh is the bisindole 16-decarbomethoxyvoacamine-pseudoindoxyl. The known alkaloids are: (E) 16-epi-isositsirikine, beta-yohimbine, yohimbine, 19,20-dehydro-beta-yohimbine, beta-yohimbine-pseudoindoxyl, isositsirikine, 19,20-dihydroisositsirikine, beta-yohimbine-oxindole, normacusine B, affinisine, vobasine, dregamine, tabernaemontanine, norfluorocurarine, 12-hydroxynorfluorocurarine, apparicine, 3,14-dihydroellipticine, antirhine, voacristine, ibogaine, iboxygaine, iboxygaine-hydroxyindolenine, iboluteine, 4',17,(17-beta)-dihydrotchibangensine, 16-decarbomethoxyvoacamine and 19,20-dihydro-16-decarbomethoxyvoacamine. Structural elucidation of the new alkaloids is based on spectral data and chemical correlations.

  DOI：

  10.1016/0031-9422(91)80111-d