(24R)-29-O-[2,4-di-O-methyl-β-D-xylopyranosyl-(1->2)-β-D-xylopyranosyl]-24-ethyl-5α-cholestane-3β,6α,8,15β,16β,29-hexol | 1338791-38-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (24R)-29-O-[2,4-di-O-methyl-β-D-xylopyranosyl-(1->2)-β-D-xylopyranosyl]-24-ethyl-5α-cholestane-3β,6α,8,15β,16β,29-hexol
• 英文别名: cariniferoside A；(3S,5S,6S,8S,9R,10S,13R,14S,15S,16R,17R)-17-[(2R,5R)-5-[2-[(2R,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethoxyoxan-2-yl]oxyoxan-2-yl]oxyethyl]-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15,16-pentol
• CAS: 1338791-38-0
• 化学式: C₄₁H₇₂O₁₄
• 分子量: 789.014
• InChiKey: DJFASSIXDMKLEG-NQCVYJMNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  55
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  217
• 氢给体数：
  8
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  (24R)-29-O-[2,4-di-O-methyl-β-D-xylopyranosyl-(1->2)-β-D-xylopyranosyl]-24-ethyl-5α-cholestane-3β,6α,8,15β,16β,29-hexol 在 三氟乙酸 作用下， 反应 2.0h， 生成 beta-D-吡喃木糖 、 2,4-di-O-methyl-D-xylose
  参考文献：
  名称：

  Cariniferosides A–F and other steroidal biglycosides from the starfish Asteropsis carinifera

  摘要：

  Six new steroidal biglycosides, cariniferosides A-F (1-6), were isolated along with six previously known glycosides, 7-12, from the alcoholic extract of the starfish Asteropsis carinifera. The structures of 1-6 were determined by extensive NMR and ESIMS techniques. The isolated compounds did not show any apparent cytotoxicity in cancer cell lines HCT-116, RPMI-7951, and T-47D, but sulfated compounds 6,11, and 12 demonstrated a significant inhibition of RPMI-7951 and T-47D cell colony formation in a soft agar clonogenic assay. (C) 2011 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2011.06.006