Magnoloside A pertrifluoroacetate | 113557-98-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Magnoloside A pertrifluoroacetate
• 英文别名: [(2R,3R,4R,5R,6R)-2-[2-[3,4-bis[(2,2,2-trifluoroacetyl)oxy]phenyl]ethoxy]-3-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris[(2,2,2-trifluoroacetyl)oxy]oxan-2-yl]oxy-5-(2,2,2-trifluoroacetyl)oxy-6-[(2,2,2-trifluoroacetyl)oxymethyl]oxan-4-yl] (E)-3-[3,4-bis[(2,2,2-trifluoroacetyl)oxy]phenyl]prop-2-enoate
• CAS: 113557-98-5
• 化学式: C₄₇H₂₇F₂₇O₂₄
• 分子量: 1488.67
• InChiKey: XTYNUNKWULPIQJ-ZLSOWSIRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.8
• 重原子数：
  98
• 可旋转键数：
  29
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  300
• 氢给体数：
  0
• 氢受体数：
  51

反应信息

• 作为产物：
  描述：

  [(2R,3R,4R,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 生成 Magnoloside A pertrifluoroacetate
  参考文献：
  名称：

  HASEGAWA, TAKASHI;FUKUYAMA, YOSHIYASU;YAMADA, TOSHIHIDE;NAKAGAWA, KAZUYUK+, CHEM. LETT.,(1988) N 1, 163-166

  摘要：

  DOI：

文献信息

• Isolation and Structure of Magnoloside A, a New Phenylpropanoid Glycoside from<i>Magnolia obovata</i>Thunb.
  作者：Takashi Hasegawa、Yoshiyasu Fukuyama、Toshihide Yamada、Kazuyuki Nakagawa

  DOI：10.1246/cl.1988.163

  日期：1988.1.5

  Magnoloside A, a novel phenylpropanoid glycoside has been isolated from the MeOH extract of Magnolia obovata and its structure has been elucidated as 3,4-dihydroxy-β-phenyl-ethyl-O-α-l-rhamnopyranosyl-(1→2)-3-O-caffeoyl-β-d-allopyranoside by means of spectroscopic and chemical evidences.