patensin | 96553-06-9

• 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: patensin
• 英文别名: Olean-12-en-28-oic acid, 3-[(2-O-I(2)-D-galactopyranosyl-I(2)-D-glucopyranosyl)oxy]-23-hydroxy-, (3I(2),4I+/-)-；(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
• CAS: 96553-06-9
• 化学式: C₄₂H₆₈O₁₄
• 分子量: 796.994
• InChiKey: WCMJLEULXWUCRF-DYSZAQIFSA-N

物化性质

• 沸点：
  915.8±65.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  56
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  236
• 氢给体数：
  9
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  patensin 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 8.0h， 以35 mg的产率得到常春藤皂苷元
  参考文献：
  名称：

  Patensin, a saponin from Pulsatilla patens var. multifida

  摘要：

  Patensin, a new triterpenoid glycoside, was isolated from the ethanolic extraction of the roots of Pulsatilla patens var. multifida. Its structure was established as hederagenin 3-O-beta-D-galactopyranosyl-(1-->2)-beta-D- glucopyranoside on the basis of hydrolysis and spectral evidence including 1D and 2D NMR techniques.

  DOI：

  10.1016/0031-9422(95)00021-x

文献信息

• Patensin, a saponin from Pulsatilla patens var. multifida
  作者：Wen-Cai Ye、Bo-Xin Ou、Nine-Ning Ji、Shou-Xun Zhao、Tao Ye、M. Anthony Mc Kervey、Paul Stevenson

  DOI：10.1016/0031-9422(95)00021-x

  日期：1995.7

  Patensin, a new triterpenoid glycoside, was isolated from the ethanolic extraction of the roots of Pulsatilla patens var. multifida. Its structure was established as hederagenin 3-O-beta-D-galactopyranosyl-(1-->2)-beta-D- glucopyranoside on the basis of hydrolysis and spectral evidence including 1D and 2D NMR techniques.