2,7-dihydroxy-3,6,9-trimethyl-4-(2-methylprop-1-en-1-yl)-1H-phenalen-1-one | 325691-46-1

• 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: 2,7-dihydroxy-3,6,9-trimethyl-4-(2-methylprop-1-en-1-yl)-1H-phenalen-1-one
• 英文别名: elisabatin C
• CAS: 325691-46-1
• 化学式: C₂₀H₂₀O₃
• 分子量: 308.377
• InChiKey: JCTYRKCPZLZPOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.07
• 重原子数：
  23.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  57.53
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2,7-dihydroxy-3,6,9-trimethyl-4-(2-methylprop-1-en-1-yl)-1H-phenalen-1-one 生成 elisabatin B
  参考文献：
  名称：

  Structurally Diverse Terpenoids from the Sea Whip Pseudopterogorgia elisabethae (Bayer)

  摘要：

  The extraction of a specimen of Pseudopterogorgia elisabethae from Colombia afforded three new diterpenes 1-3, a norditerpene 4, and a tetrisnorditerpene 5. Metabolites 4 and 5 contain unusual carbon skeletons that are previously undescribed and therefore constitute new classes of C-19 and C-16 rearranged terpenes, respectively. Full details of the isolation and structure elucidation of 1-5, which were established by spectroscopic methods including comprehensive 2D NMR measurements, are provided herein. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00754-7

文献信息

• Structurally Diverse Terpenoids from the Sea Whip Pseudopterogorgia elisabethae (Bayer)
  作者：A Rodríguez

  DOI：10.1016/s0040-4020(00)00754-7

  日期：2000.11.10

  The extraction of a specimen of Pseudopterogorgia elisabethae from Colombia afforded three new diterpenes 1-3, a norditerpene 4, and a tetrisnorditerpene 5. Metabolites 4 and 5 contain unusual carbon skeletons that are previously undescribed and therefore constitute new classes of C-19 and C-16 rearranged terpenes, respectively. Full details of the isolation and structure elucidation of 1-5, which were established by spectroscopic methods including comprehensive 2D NMR measurements, are provided herein. (C) 2000 Elsevier Science Ltd. All rights reserved.