(1R)-1-{(1R,2S)-2-[(1S)-1-(acetyloxy)ethyl]-2-hydroxy-1-methyl-5-oxocyclopentyl}-2-[(1R,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 | 1206547-28-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1R)-1-{(1R,2S)-2-[(1S)-1-(acetyloxy)ethyl]-2-hydroxy-1-methyl-5-oxocyclopentyl}-2-[(1R,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
• 英文别名: 3-O-α-L-cymaropyranosyl-(1->4)-β-D-cymaropyranosyl-(1->4)-α-L-diginopyranosyl-(1->4)-β-D-cymaropyranosyl 12-O-cinnamoyl-20-O-acetyl-8,14-secosarcostin-8,14-dione；wilfoside F；[(1R)-1-[(1R,2S)-2-[(1S)-1-acetyloxyethyl]-2-hydroxy-1-methyl-5-oxocyclopentyl]-2-[(1R,6S,8aR)-6-[(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-8a-methyl-2-oxo-1,3,5,6,7,8-hexahydronaphthalen-1-yl]ethyl] (E)-3-phenylprop-2-enoate
• CAS: 1206547-28-5
• 化学式: C₆₀H₈₈O₂₀
• 分子量: 1129.35
• InChiKey: DXGMFVJSUTZNST-VAYDDJLJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  80
• 可旋转键数：
  22
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  238
• 氢给体数：
  2
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  (1R)-1-{(1R,2S)-2-[(1S)-1-(acetyloxy)ethyl]-2-hydroxy-1-methyl-5-oxocyclopentyl}-2-[(1R,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 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 、 水 为溶剂， 反应 1.5h， 生成 L-diginose 、 D-symarose 、 L-cymarose
  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

• 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。