2-[(2R,3R,4S,5E,6S)-2-acetyloxy-6-methoxy-5-(4-methylpent-3-enylidene)-3-(6-oxohept-1-en-2-yl)oxan-4-yl]acetic acid | 1422462-31-4

• 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: 2-[(2R,3R,4S,5E,6S)-2-acetyloxy-6-methoxy-5-(4-methylpent-3-enylidene)-3-(6-oxohept-1-en-2-yl)oxan-4-yl]acetic acid
• CAS: 1422462-31-4
• 化学式: C₂₃H₃₄O₇
• 分子量: 422.519
• InChiKey: XQMYZQKSXNUVAQ-AQDAYBHLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  99.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  甲醇 、 alcyonolide 反应 12.0h， 以12%的产率得到methyl 2-[(2R,3R,4S)-2-acetyloxy-5-[(1S)-1-hydroxy-4-methylpent-3-enyl]-3-(6-oxohept-1-en-2-yl)-3,4-dihydro-2H-pyran-4-yl]acetate
  参考文献：
  名称：

  Cytotoxic Alcyonolide Congeners from an Okinawan Soft Coral Cespitularia sp.

  摘要：

  Four new alcyonolide congeners (1-4) were isolated from a soft coral Cespitularia sp. together with the known alcyonolide (5). Their structures were determined by spectroscopic and chemical analyses. Compounds 1-5 showed moderate to weak cytotoxicities against HCT 116 cells.

  DOI：

  10.3987/com-12-12545

文献信息

• Cytotoxic Alcyonolide Congeners from an Okinawan Soft Coral Cespitularia sp.
  作者：Katsuhiro Ueda、Prodip Kumar Roy、Wilmar Maarisit、Sona Rani Roy、Junsei Taira

  DOI：10.3987/com-12-12545

  日期：——

  Four new alcyonolide congeners (1-4) were isolated from a soft coral Cespitularia sp. together with the known alcyonolide (5). Their structures were determined by spectroscopic and chemical analyses. Compounds 1-5 showed moderate to weak cytotoxicities against HCT 116 cells.