methoxymethyl (1S,1'S,2S,2'S,4a'R,4b'R,7'S,9a'S,10'S,10a'R)-2'-acetoxy-2-chloro-7'-hydroxy-1'-methyl-13'-oxo-1',2',4b',5',6',7',10',10a'-octahydro-9'H-spiro[cyclopropane-1,8'-[4a,1](epoxymethano)[7,9a]methanobenzo[a]azulene]-10'-carboxylate | 220948-48-1

• 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: methoxymethyl (1S,1'S,2S,2'S,4a'R,4b'R,7'S,9a'S,10'S,10a'R)-2'-acetoxy-2-chloro-7'-hydroxy-1'-methyl-13'-oxo-1',2',4b',5',6',7',10',10a'-octahydro-9'H-spiro[cyclopropane-1,8'-[4a,1](epoxymethano)[7,9a]methanobenzo[a]azulene]-10'-carboxylate
• CAS: 220948-48-1
• 化学式: C₂₄H₂₉ClO₈
• 分子量: 480.942
• InChiKey: QMIAZYIAWANJOZ-NMNLDBMASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  33.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  108.36
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  methoxymethyl (1S,1'S,2S,2'S,4a'R,4b'R,7'S,9a'S,10'S,10a'R)-2'-acetoxy-2-chloro-7'-hydroxy-1'-methyl-13'-oxo-1',2',4b',5',6',7',10',10a'-octahydro-9'H-spiro[cyclopropane-1,8'-[4a,1](epoxymethano)[7,9a]methanobenzo[a]azulene]-10'-carboxylate 在 三甲基氯硅烷 、 水 、 potassium carbonate 、 potassium hydrogencarbonate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 ent-16β,17-(chloromethano)-3α,13-dihydroxy-20-norgibberell-1-ene-7,19-dioic acid 19,10-lactone
  参考文献：
  名称：

  Effects of D-ring modified gibberellins on flowering and growth in lolium temulentum

  摘要：

  The modified gibberellins, 16-methyl-16,17-dihydro-GA(5), 16,17-methano-16,17-dihydro-Gh(5), 16,17-methano-16,17-dihydro-GA(3) and several halogenated derivatives of 16,17-methano-16,17-dihydro-GA(3) and GA(5) were prepared and tested for bioregulating properties in Lolium temulentum. The effects ranged from the promotion of both stem elongation and flowering, the promotion of flowering but not elongation, and vice versa, the inhibition of stem elongation combined with the promotion of flowering, and the inhibition of both. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(98)00310-0
• 作为产物：
  描述：

  gibberellin A₃-3-acetate 在 sodium hydroxide 、 偶氮二异丁腈 、 苄基三乙基氯化铵 、 三正丁基氢锡 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 16.33h， 生成 methoxymethyl (1S,1'S,2S,2'S,4a'R,4b'R,7'S,9a'S,10'S,10a'R)-2'-acetoxy-2-chloro-7'-hydroxy-1'-methyl-13'-oxo-1',2',4b',5',6',7',10',10a'-octahydro-9'H-spiro[cyclopropane-1,8'-[4a,1](epoxymethano)[7,9a]methanobenzo[a]azulene]-10'-carboxylate
  参考文献：
  名称：

  Effects of D-ring modified gibberellins on flowering and growth in lolium temulentum

  摘要：

  The modified gibberellins, 16-methyl-16,17-dihydro-GA(5), 16,17-methano-16,17-dihydro-Gh(5), 16,17-methano-16,17-dihydro-GA(3) and several halogenated derivatives of 16,17-methano-16,17-dihydro-GA(3) and GA(5) were prepared and tested for bioregulating properties in Lolium temulentum. The effects ranged from the promotion of both stem elongation and flowering, the promotion of flowering but not elongation, and vice versa, the inhibition of stem elongation combined with the promotion of flowering, and the inhibition of both. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(98)00310-0