(5Z)-4-hydroxy-5-[(2R,6E,10E)-13-(2-hydroxy-5-oxo-2H-furan-4-yl)-2,6,10-trimethyltrideca-6,10-dienylidene]-3-methylfuran-2-one | 123534-61-2

• 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: (5Z)-4-hydroxy-5-[(2R,6E,10E)-13-(2-hydroxy-5-oxo-2H-furan-4-yl)-2,6,10-trimethyltrideca-6,10-dienylidene]-3-methylfuran-2-one
• CAS: 123534-61-2
• 化学式: C₂₅H₃₄O₆
• 分子量: 430.541
• InChiKey: FIOHAOSLSHPVIU-GHUWAEOFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (5Z)-4-hydroxy-5-[(2R,6E,10E)-13-(2-hydroxy-5-oxo-2H-furan-4-yl)-2,6,10-trimethyltrideca-6,10-dienylidene]-3-methylfuran-2-one 在 ruthenium trichloride 、 sodium periodate 作用下， 以 四氯化碳 、 水 、 乙腈 为溶剂， 生成 (-)-(R)-2-methyl-6-oxoheptanoic acid
  参考文献：
  名称：

  Sesterterpenoids from the Sponge Sarcotragus sp.

  摘要：

  Nineteen new sesterterpenoids and eight known compounds were isolated from the sponge Sarcotragus sp. collected from Soheuksan Island, Korea. The structures of these compounds were determined to be linear sesterterpenoids containing furan or related oxygenated functionalities on the basis of combined chemical and spectroscopic analyses. In addition, the configurations of several previously undetermined compounds were assigned. Several compounds exhibited moderate to major antibacterial activity (compounds 1-3, 17, 18) and cytotoxicity (3, 11, 12) against the K562 cell line and inhibitory activity against isocitrate lyase (6, 13).

  DOI：

  10.1021/np0780147

文献信息

• Sesterterpenoids from the Sponge <i>Sarcotragus</i> sp.
  作者：Nan Wang、Jueun Song、Kyoung Hwa Jang、Hyi-Seung Lee、Xian Li、Ki-Bong Oh、Jongheon Shin

  DOI：10.1021/np0780147

  日期：2008.4.1

  Nineteen new sesterterpenoids and eight known compounds were isolated from the sponge Sarcotragus sp. collected from Soheuksan Island, Korea. The structures of these compounds were determined to be linear sesterterpenoids containing furan or related oxygenated functionalities on the basis of combined chemical and spectroscopic analyses. In addition, the configurations of several previously undetermined compounds were assigned. Several compounds exhibited moderate to major antibacterial activity (compounds 1-3, 17, 18) and cytotoxicity (3, 11, 12) against the K562 cell line and inhibitory activity against isocitrate lyase (6, 13).