methyl (2S)-4-[[(1R)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate | 15401-60-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: methyl (2S)-4-[[(1R)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
• CAS: 15401-60-2
• 化学式: C₂₇H₃₅NO₁₂
• 分子量: 565.6
• InChiKey: QISXROCIXKXUPS-NNZOFUMNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  196
• 氢给体数：
  6
• 氢受体数：
  12

文献信息

• Method for extracting and refining alkaloids from ipecac
  申请人：CHENGDU HERBPURIFY CO., LTD.

  公开号：US10258661B2

  公开（公告）日：2019-04-16

  Provided is a method for extracting and refining alkaloids from ipecac, comprising: (1) grinding ipecac, adding acidic methanol/ethanol solution for extraction, obtaining an extraction solution A, concentrating under a reduced pressure, and obtaining a concentrated solution B; (2) using reversed-phase polymer filler J for adsorption, and performing desorption by washing with water, collecting a washing solution C, eluting with an alcoholic solution E and collecting a desorption solution D; (3) injecting the washing solution C and the desorption solution D into a preparative high performance liquid chromatograph for separation and purification respectively, to collect a solution G, and a solution H and a solution I respectively; and (4) concentrating the solutions G, H and I, which are then subjected to reversed-phase polymer filler K for adsorption respectively; eluting them respectively after adsorption with an alcoholic solution F; concentrating obtained eluates to dryness; and then performing vacuum drying.

  本发明提供了一种提取和精制依帕可生物碱的方法，包括(1) 研磨依帕酸，加入酸性甲醇/乙醇溶液进行提取，得到提取液A，减压浓缩，得到浓缩液B； (2) 使用反相聚合物填料J进行吸附，用水洗涤进行解吸，收集洗涤液C，用乙醇溶液E洗脱，收集解吸液D；(3) 将洗涤溶液 C 和解吸溶液 D 分别注入制备型高效液相色谱仪进行分离和纯化，分别收集溶液 G、溶液 H 和溶液 I；以及 (4) 将溶液 G、H 和 I 浓缩，然后分别用反相聚合物填料 K 进行吸附，吸附后分别用酒精溶液 F 进行洗脱，将获得的洗脱液浓缩至干，然后进行真空干燥。
• METHOD FOR EXTRACTING AND REFINING ALKALOIDS FROM IPECAC
  申请人：CHENGDU HERBPURIFY CO., LTD.

  公开号：US20170368126A1

  公开（公告）日：2017-12-28

  Provided is a method for extracting and refining alkaloids from ipecac, comprising: (1) grinding ipecac, adding acidic methanol/ethanol solution for extraction, obtaining an extraction solution A, concentrating under a reduced pressure, and obtaining a concentrated solution B; (2) using reversed-phase polymer filler J for adsorption, and performing desorption by washing with water, collecting a washing solution C, eluting with an alcoholic solution E and collecting a desorption solution D; (3) injecting the washing solution C and the desorption solution D into a preparative high performance liquid chromatograph for separation and purification respectively, to collect a solution G, and a solution H and a solution I respectively; and (4) concentrating the solutions G, H and I, which are then subjected to reversed-phase polymer filler K for adsorption respectively; eluting them respectively after adsorption with an alcoholic solution F; concentrating obtained eluates to dryness; and then performing vacuum drying.