(20S,24R)-6-O-β-D-glucopyranosyldammar-3-one-20,24-epoxy-6α,12β,25-triol | 1447761-47-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (20S,24R)-6-O-β-D-glucopyranosyldammar-3-one-20,24-epoxy-6α,12β,25-triol
• 英文别名: pseudoginsenoside RT₆；(5R,6S,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• CAS: 1447761-47-8
• 化学式: C₃₆H₆₀O₁₀
• 分子量: 652.866
• InChiKey: GIEWFBXBZWGHBG-APXMWAOKSA-N

物化性质

• 沸点：
  758.6±60.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  46
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.97
• 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：

  (20S,24R)-6-O-β-D-glucopyranosyldammar-3-one-20,24-epoxy-6α,12β,25-triol 生成 葡萄糖
  参考文献：
  名称：

  Two novel dammarane-type compounds from the leaves and stems ofPanax quinquefoliumL.

  摘要：

  Two new dammarane-type compounds were isolated from the leaves and stems of Panax quinquefolium L. The new compounds were named as pseudo-ginsenoside RT6 (1) and pseudoginsengenin R-1 (2). The structures of the new compounds were elucidated by the combined analysis of NMR and HR-ESI-MS as (20S,24R)-6-O--d-glucopyranosyl-dammar-3-one-20,24-epoxy-6,12,25-triol (1) and (20S,24R)-dammar-3-one-20,24-epoxy-6,12,25-triol (2).

  DOI：

  10.1080/10286020.2013.794416

文献信息

• Two novel dammarane-type compounds from the leaves and stems of<i>Panax quinquefolium</i>L.
  作者：Jin-Ping Liu、Xu Tian、Hai-Yu Liu、Qing-He Zhang、Dan Lu、Ping-Ya Li、Chun-Fang Zhao

  DOI：10.1080/10286020.2013.794416

  日期：2013.9

  Two new dammarane-type compounds were isolated from the leaves and stems of Panax quinquefolium L. The new compounds were named as pseudo-ginsenoside RT6 (1) and pseudoginsengenin R-1 (2). The structures of the new compounds were elucidated by the combined analysis of NMR and HR-ESI-MS as (20S,24R)-6-O--d-glucopyranosyl-dammar-3-one-20,24-epoxy-6,12,25-triol (1) and (20S,24R)-dammar-3-one-20,24-epoxy-6,12,25-triol (2).