grandiflorone | 10499-26-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: grandiflorone
• 英文别名: 4-Cyclohexene-1,3-dione, 5-hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)-；5-hydroxy-2,2,6,6-tetramethyl-4-(3-phenylpropanoyl)cyclohex-4-ene-1,3-dione
• CAS: 10499-26-0
• 化学式: C₁₉H₂₂O₄
• 分子量: 314.381
• InChiKey: KUWGTESSHWPSOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  71.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-苯基丙酸 在 甲醇 、 三氯化铝 、 sodium 、 三氯氧磷 作用下， 反应 51.0h， 生成 grandiflorone
  参考文献：
  名称：

  β-Triketones from Myrtaceae:  Isoleptospermone from Leptospermum scoparium and Papuanone from Corymbia dallachiana

  摘要：

  Naturally occurring beta-triketones, isoleptospermone [3, 5-hydroxy-4-(2-methyl-1-oxopentyl)-2,2,6 methyl-4-cyclohexene-1,3-dione) from Leptospermum scoparium] and papuanone [6, 5-hydroxy-4-(loxohexyl)-2,2,6,6-tetramethyl-4-cyclohex from Corymbia dallachiana], have been synthesized. Full spectral data are reported for the first time. The C-13 NMR spectra of 3, 6, and the other triketones flavesone (2), leptospermone (4), and grandiflorone (5) found in Myrtaceous plants are fully assigned.

  DOI：

  10.1021/np980350n

文献信息

• β-Triketones from Myrtaceae:  Isoleptospermone from <i>Leptospermum </i><i>s</i><i>coparium</i> and Papuanone from <i>Corymbia </i><i>d</i><i>allachiana</i>
  作者：John W. van Klink、Joseph J. Brophy、Nigel B. Perry、Rex T. Weavers

  DOI：10.1021/np980350n

  日期：1999.3.1

  Naturally occurring beta-triketones, isoleptospermone [3, 5-hydroxy-4-(2-methyl-1-oxopentyl)-2,2,6 methyl-4-cyclohexene-1,3-dione) from Leptospermum scoparium] and papuanone [6, 5-hydroxy-4-(loxohexyl)-2,2,6,6-tetramethyl-4-cyclohex from Corymbia dallachiana], have been synthesized. Full spectral data are reported for the first time. The C-13 NMR spectra of 3, 6, and the other triketones flavesone (2), leptospermone (4), and grandiflorone (5) found in Myrtaceous plants are fully assigned.