麦角甾-5,24-二烯-26-酸,3-(b-D-吡喃葡萄糖氧基)-1,22,27-三羟基-,d-内酯,(1a,3b,22R)- | 146713-92-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 中文名称: 麦角甾-5,24-二烯-26-酸,3-(b-D-吡喃葡萄糖氧基)-1,22,27-三羟基-,d-内酯,(1a,3b,22R)-
• 英文名称: physagulin D
• 英文别名: Physagulin-d；(2R)-2-[(1S)-1-[(1S,3R,8S,9S,10R,13S,14S,17R)-1-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
• CAS: 146713-92-0
• 化学式: C₃₄H₅₂O₁₀
• 分子量: 620.781
• InChiKey: KRHHFPJGGBLAAH-MYBCZMNMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  44
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 麦角甾-5,24-二烯-26-酸,3-(b-D-吡喃葡萄糖氧基)-1,22,27-三羟基-,d-内酯,(1a,3b,22R)- 在 吡啶 作用下， 以23.4 mg的产率得到physagulin hexaacetate
  参考文献：
  名称：

  Studies on the constituents of solanaceous plants. Part 21. Three New Withanolides, Physagulins A, B and D from physalis angulata L.

  摘要：

  Three new withanolides, physagulins A (1), B (2) and D (3), were obtained from the methanolic extract of the fresh leaves and stems of Physalis angulata L. (Solanaceae). Their structures were established as (20S, 22R)-15α-acetoxy-5β, 6β-epoxy-14α-hydroxy-1-oxowitha-2, 16, 24-trienolide (1), (20S, 22R)-15α-acetoxy-5α-chloro-6β, 14α-dihydroxy-1-oxowitha-2, 16, 24-trienolide (2) and (20S, 22R)-1α, 3β, 27-trihydroxywitha-5, 24-dienolide 3-O-β-D-gluco-pyranoside (3) by spectroscopic means.

  DOI：

  10.1248/cpb.40.2088

文献信息

• Studies on the constituents of solanaceous plants. Part 21. Three New Withanolides, Physagulins A, B and D from physalis angulata L.
  作者：Kazushi SHINGU、Shoji YAHARA、Toshihiro NOHARA、Hikaru OKABE

  DOI：10.1248/cpb.40.2088

  日期：——

  Three new withanolides, physagulins A (1), B (2) and D (3), were obtained from the methanolic extract of the fresh leaves and stems of Physalis angulata L. (Solanaceae). Their structures were established as (20S, 22R)-15α-acetoxy-5β, 6β-epoxy-14α-hydroxy-1-oxowitha-2, 16, 24-trienolide (1), (20S, 22R)-15α-acetoxy-5α-chloro-6β, 14α-dihydroxy-1-oxowitha-2, 16, 24-trienolide (2) and (20S, 22R)-1α, 3β, 27-trihydroxywitha-5, 24-dienolide 3-O-β-D-gluco-pyranoside (3) by spectroscopic means.