3β,16α,20(R)-trihydroxy-25-acetoxy-2,11,22-trioxocucurbita-5,23(E)-diene | 89647-62-1

• 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
• 英文名称: 3β,16α,20(R)-trihydroxy-25-acetoxy-2,11,22-trioxocucurbita-5,23(E)-diene
• 英文别名: 3-epi-isocucurbitacin B；isocucurbitacin B；3-epicucurbitacin B；[(E,6R)-6-[(3R,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
• CAS: 89647-62-1
• 化学式: C₃₂H₄₆O₈
• 分子量: 558.712
• InChiKey: WTBZNVRBNJWSPF-KWPSBSMYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  138
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3β,16α,20(R)-trihydroxy-25-acetoxy-2,11,22-trioxocucurbita-5,23(E)-diene 、 乙酸酐 生成 [(3R,8S,9R,10R,13R,14S,16R,17R)-3-acetyloxy-17-[(E,2R)-2,6-diacetyloxy-6-methyl-3-oxohept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
  参考文献：
  名称：

  MATA, RACHEL;RIOS, LIZETH;CAMACHO, DEL RAYO;REGUERO, TERESA;LORENCE, DAVI+, PHYTOCHEMISTRY, 27,(1988) N 6, C. 1887-1889

  摘要：

  DOI：

文献信息

• Plant Anticancer Agents XXX: Cucurbitacins from Ipomopsis aggregata (Polemoniaceae)
  作者：Munehisa Arisawa、John M. Pezzuto、Geoffrey A. Cordell、Norman R. Farnsworth、A. Douglas Kinghorn

  DOI：10.1002/jps.2600730335

  日期：1984.3

  Isocucurbitacin B (I), 3-epi-isocucurbitacin B (II), and cucurbitacin B (III) were identified as the principal cytotoxic constituents of Ipomopsis aggregata (Pursh) V. Grant (Polemoniaceae). The structure of the new compound, II, was determined through analysis of its spectrometric characteristics.

  异葫芦素B（I），3-表异葫芦素B（II）和葫芦素B（III）被鉴定为Ipomopsis aaggregata（Pursh）V.Grant（Polemoniaceae）的主要细胞毒性成分。通过分析其光谱特征确定了新化合物II的结构。
• Chemosensory Receptor Ligand-Based Therapies
  申请人：BARON Alain D.

  公开号：US20120177730A1

  公开（公告）日：2012-07-12

  Provided herein are methods for treating conditions associated with a chemosensory receptor, including diabetes, obesity, and other metabolic diseases, disorders or conditions by administrating a composition comprising a chemosensory receptor ligand, such as a bitter receptor ligand. Also provided herein are chemosensory receptor ligand compositions, including bitter receptor ligand compositions, and methods for the preparation thereof for use in the methods of the present invention. Also provided herein are compositions comprising metformin and salts thereof and methods of use.
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