(3S,5R,6S,7E,9R)-megastigm-7-ene-3,6,9-triol 3-O-β-D-(6'-O-β-D-apiofuranosyl)glucopyranoside | 1393716-38-5

• 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: (3S,5R,6S,7E,9R)-megastigm-7-ene-3,6,9-triol 3-O-β-D-(6'-O-β-D-apiofuranosyl)glucopyranoside
• 英文别名: 6'-O-β-D-apiofuranosylglochidionionoside A；oblongionoside B；(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(1S,4S,5R)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,3,5-trimethylcyclohexyl]oxyoxane-3,4,5-triol
• CAS: 1393716-38-5
• 化学式: C₂₄H₄₂O₁₂
• 分子量: 522.59
• InChiKey: MZYWJISNCFEKGD-ORGKELGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  199
• 氢给体数：
  8
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  (3S,5R,6S,7E,9R)-megastigm-7-ene-3,6,9-triol 3-O-β-D-(6'-O-β-D-apiofuranosyl)glucopyranoside 在 盐酸 、 水 作用下， 反应 1.0h， 生成 D-apiose
  参考文献：
  名称：

  Oblongionosides A–F, megastigmane glycosides from the leaves of Croton oblongifolius Roxburgh

  摘要：

  From the 1-BuOH-soluble fraction of a MeOH extract of the leaves of Croton oblongifolius Roxburgh, collected in Chiang Mai, Thailand, six megastigmane glycosides, named oblongionosides A-F were isolated together with eight known compounds, and their structures elucidated on the basis of spectroscopic data. Absolute structures were determined by HPLC analyses and application of the modified Mosher's method. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2012.05.011

文献信息

• Oblongionosides A–F, megastigmane glycosides from the leaves of Croton oblongifolius Roxburgh
  作者：Yuya Takeshige、Susumu Kawakami、Katsuyoshi Matsunami、Hideaki Otsuka、Duangporn Lhieochaiphant、Sorasak Lhieochaiphant

  DOI：10.1016/j.phytochem.2012.05.011

  日期：2012.8

  From the 1-BuOH-soluble fraction of a MeOH extract of the leaves of Croton oblongifolius Roxburgh, collected in Chiang Mai, Thailand, six megastigmane glycosides, named oblongionosides A-F were isolated together with eight known compounds, and their structures elucidated on the basis of spectroscopic data. Absolute structures were determined by HPLC analyses and application of the modified Mosher's method. (C) 2012 Elsevier Ltd. All rights reserved.