stauntogenin B 3-O-α-L-cymaropyranosoyl-(1→4)-β-D-cymaropyranosoyl-(1→4)-β-D-cymaropyranosoyl-(1→4)-β-D-thevetopyranoside | 1417887-96-7

• 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: stauntogenin B 3-O-α-L-cymaropyranosoyl-(1→4)-β-D-cymaropyranosoyl-(1→4)-β-D-cymaropyranosoyl-(1→4)-β-D-thevetopyranoside
• 英文别名: stauntoside H；(1R,4R,5R,8S,13R,14S,16S,19S,22R)-8-[(2R,3R,4R,5R,6R)-3-hydroxy-5-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxahexacyclo[14.5.1.01,14.04,13.05,10.019,22]docosa-9,11-diene-13,14-diol
• CAS: 1417887-96-7
• 化学式: C₄₉H₇₆O₁₉
• 分子量: 969.131
• InChiKey: CZCOTALTGQFFGO-QUVTWCLGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  68
• 可旋转键数：
  12
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  219
• 氢给体数：
  4
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  stauntogenin B 3-O-α-L-cymaropyranosoyl-(1→4)-β-D-cymaropyranosoyl-(1→4)-β-D-cymaropyranosoyl-(1→4)-β-D-thevetopyranoside 在 盐酸 、 水 作用下， 反应 2.5h， 生成 D-symarose 、 雌-4-烯-3-酮,10-乙基-17-羟基-,(17b)-(9CI) 、 L-cymarose
  参考文献：
  名称：

  Nine new steroidal glycosides from the roots of Cynanchum stauntonii

  摘要：

  Nine new steroidal glycosides, named as stauntosides C-K (2, 5, 7-10, 13, 14, and 16), along with seven known compounds (1, 3, 4, 6, 11, 12, and 15) were isolated from the 95% ethanol extract of the roots of Cynanchum stauntonii. The structures of these new compounds were elucidated on the basis of extensive spectroscopic analyses, mainly 1D and 2D NMR, and HRESI-MS, and qualitative chemical methods. Their significance in terms of the chemotaxonomy of C. stauntonii is discussed. (c) 2012 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2012.10.007

文献信息

• Nine new steroidal glycosides from the roots of Cynanchum stauntonii
  作者：Jin-Qian Yu、An-Jun Deng、Hai-Lin Qin

  DOI：10.1016/j.steroids.2012.10.007

  日期：2013.1

  Nine new steroidal glycosides, named as stauntosides C-K (2, 5, 7-10, 13, 14, and 16), along with seven known compounds (1, 3, 4, 6, 11, 12, and 15) were isolated from the 95% ethanol extract of the roots of Cynanchum stauntonii. The structures of these new compounds were elucidated on the basis of extensive spectroscopic analyses, mainly 1D and 2D NMR, and HRESI-MS, and qualitative chemical methods. Their significance in terms of the chemotaxonomy of C. stauntonii is discussed. (c) 2012 Elsevier Inc. All rights reserved.