1-O-β-D-glucopyranosyl-(2S,3S,4R,10Z)-2-[(2’R)-2’-hydroxytetracosanoylamino]-octadec-10-en-1,3,4-triol | 1244547-34-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 鞘脂
• 英文名称: 1-O-β-D-glucopyranosyl-(2S,3S,4R,10Z)-2-[(2’R)-2’-hydroxytetracosanoylamino]-octadec-10-en-1,3,4-triol
• 英文别名: (2S,3S,4R,10Z)-1-O-(β-D-glucopyranosyl)-2-[(2'R)-2'-hydroxylignocenoyl-amino]-10-octadecene-1,3,4-triol；markhasphingolipid A；(2R)-N-[(Z,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-10-en-2-yl]-2-hydroxytetracosanamide
• CAS: 1244547-34-9
• 化学式: C₄₈H₉₃NO₁₀
• 分子量: 844.267
• InChiKey: HUHVDCYMYIXOIN-VOTJRPDESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.3
• 重原子数：
  59
• 可旋转键数：
  41
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  189
• 氢给体数：
  8
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  二甲基二硫 、 1-O-β-D-glucopyranosyl-(2S,3S,4R,10Z)-2-[(2’R)-2’-hydroxytetracosanoylamino]-octadec-10-en-1,3,4-triol 在 碘 作用下， 以 二硫化碳 为溶剂， 反应 40.0h， 生成
  参考文献：
  名称：

  A new cerebroside fromGynura divaricata

  摘要：

  A new cerebroside (1) was isolated from the aerial parts of Gynura divaricata DC., along with five known compounds: kaempferol (2), kaempferol 3-O-glucoside (3), kaempferol 3-O-rhamnosyl(1 6)glucoside (4), -sitosteryl glucoside-6'-O-heptadecoicate (5) and 2-(1', 2', 3', 4'-tetrahydroxybutyl)-6-(2'', 3'', 4''-trihydroxybutyl)-pyrazine (6), which are isolated for the first time from this species. The structure of 1 was determined to be 1-O--D-glucopyranosyl-(2S, 3S, 4R, 10Z)-2-[(2'R)-2'-hydroxylignocenoyl-amino]-10-octadecene-1,3,4-triol on the basis of chemical and spectroscopic evidence.

  DOI：

  10.1080/14786410902836677

文献信息

• A new cerebroside from<i>Gynura divaricata</i>
  作者：Lei Chen、Jin-Jiang Wang、Guo-Gang Zhang、Hong-Tao Song、Lu-Ping Qin

  DOI：10.1080/14786410902836677

  日期：2009.9.20

  A new cerebroside (1) was isolated from the aerial parts of Gynura divaricata DC., along with five known compounds: kaempferol (2), kaempferol 3-O-glucoside (3), kaempferol 3-O-rhamnosyl(1 6)glucoside (4), -sitosteryl glucoside-6'-O-heptadecoicate (5) and 2-(1', 2', 3', 4'-tetrahydroxybutyl)-6-(2'', 3'', 4''-trihydroxybutyl)-pyrazine (6), which are isolated for the first time from this species. The structure of 1 was determined to be 1-O--D-glucopyranosyl-(2S, 3S, 4R, 10Z)-2-[(2'R)-2'-hydroxylignocenoyl-amino]-10-octadecene-1,3,4-triol on the basis of chemical and spectroscopic evidence.