wilfoside K1N | 100802-91-3

• 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: wilfoside K1N
• 英文别名: Wilfoside K 1N；[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6S)-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-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
• CAS: 100802-91-3
• 化学式: C₅₈H₈₆O₁₉
• 分子量: 1087.31
• InChiKey: WXYGKQHQSYONAN-SEVDRDMJSA-N

物化性质

• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  77
• 可旋转键数：
  17
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  235
• 氢给体数：
  4
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  wilfoside K1N 在 lead(IV) tetraacetate 作用下， 以 苯 为溶剂， 反应 0.5h， 以24.5 mg的产率得到(1R)-1-{(1R,2S)-2-acetyl-2-hydroxy-1-methyl-5-oxocyclopentyl}-2-[(6S,8aR)-6-{[2,6-dideoxy-3-O-methyl-α-L-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-α-L-lyxo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-8a-methyl-2-oxo-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl (2E)-3-phenylprop-2-enoate
  参考文献：
  名称：

  西洋梨的C21甾族糖苷

  摘要：

  八新的C 21甾体糖苷，命名wilfosides A-H（1 - 8，RESP），与一种已知化合物wilfoside KIN（沿9），从根分离牛心甙。在光谱分析的基础上确定了新糖苷的结构，包括1D和2D-NMR，ESI-MS技术以及将光谱数据与相关化合物的光谱数据进行了比较。

  DOI：

  10.1002/hlca.200900057

文献信息

• USE OF 3,8,12,14, 17,20-OXO-SUBSTITUTED PREGNENE GLYCOSIDES IN THE PREPARATION OF HEALTHCARE PRODUCTS, FOOD ADDITIVES AND PHARMACEUTICALS FOR THE INHIBITION OF APPETITE
  申请人：Zhao Weimin

  公开号：US20140058074A1

  公开（公告）日：2014-02-27

  The present invention relates to the use of 3,8,12,14,17,20-oxo-substituted pregnene glycosides having the following formula I in the preparation of healthcare products, food additives and drugs for losing body weight, controlling body weight and inhibiting appetite of human beings or animals, wherein, R 1 is a saccharide group, and R 2 is an acyl group.
• US9012611B2
  申请人：——

  公开号：US9012611B2

  公开（公告）日：2015-04-21
• C21 Steroidal Glycosides from Cynanchum wilfordii
  作者：Wen-Juan Xiang、Lei Ma、Li-Hong Hu

  DOI：10.1002/hlca.200900057

  日期：2009.12

  Eight new C21 steroidal glycosides, named wilfosides A–H (1–8, resp.), along with one known compound wilfoside KIN (9), were isolated from the roots of Cynanchum wilfordii. The structures of the new glycosides were determined on the basis of spectroscopic analysis, including 1D‐ and 2D‐NMR, and ESI‐MS techniques, as well as by comparison of the spectral data with those of related compounds.

  八新的C 21甾体糖苷，命名wilfosides A-H（1 - 8，RESP），与一种已知化合物wilfoside KIN（沿9），从根分离牛心甙。在光谱分析的基础上确定了新糖苷的结构，包括1D和2D-NMR，ESI-MS技术以及将光谱数据与相关化合物的光谱数据进行了比较。