(1R,2S,3'aS,6S,6'aR,9'aS,9'bS,10R,14S)-3',5,6',9-tetramethylidenespiro[3,13-dioxatetracyclo[8.7.0.02,6.012,17]heptadec-12(17)-ene-14,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',4,8'-trione | 1246275-09-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (1R,2S,3'aS,6S,6'aR,9'aS,9'bS,10R,14S)-3',5,6',9-tetramethylidenespiro[3,13-dioxatetracyclo[8.7.0.02,6.012,17]heptadec-12(17)-ene-14,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',4,8'-trione
• CAS: 1246275-09-1
• 化学式: C₃₀H₃₂O₆
• 分子量: 488.58
• InChiKey: ADNPTMGTMPXZQQ-WUSQBNJRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  36
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (1R,2S,3'aS,6S,6'aR,9'aS,9'bS,10R,14S)-3',5,6',9-tetramethylidenespiro[3,13-dioxatetracyclo[8.7.0.02,6.012,17]heptadec-12(17)-ene-14,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',4,8'-trione 在 lithium hexamethyldisilazane 、 重水 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.5h， 以58%的产率得到
  参考文献：
  名称：

  A Biomimetic Total Synthesis of (+)-Ainsliadimer A

  摘要：

  A protecting group free and biomimetic total synthesis of (+)-ainsliadimer A has been accomplished in 14 steps from a-santonin. The synthesis relies on a hydrogen bonding promoted [4 + 2]-hetero-Diels-Alder dimerization to afford the key homodimer intermediate, which demonstrates the feasibility of using nonenzymatic conditions to achieve the proposed biosynthesis.

  DOI：

  10.1021/ol101705j
• 作为产物：
  描述：

  dehydrozaluzanin C 在 S-1,1'-联-2-萘酚 作用下， 以 乙酸乙酯 为溶剂， 反应 60.0h， 以71%的产率得到(1R,2S,3'aS,6S,6'aR,9'aS,9'bS,10R,14S)-3',5,6',9-tetramethylidenespiro[3,13-dioxatetracyclo[8.7.0.02,6.012,17]heptadec-12(17)-ene-14,9'-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan]-2',4,8'-trione
  参考文献：
  名称：

  WO2015/161824

  摘要：

  公开号：

文献信息

• 10.1002/ejoc.202400533
  作者：Kelesidis, Antonis、Gennaiou, Kyriaki、Zografos, Alexandros L.

  DOI：10.1002/ejoc.202400533

  日期：——

  It's just a matter of solvent! The special properties of hexafluoroisopropanol (HFIP) can induce a one-pot dimerization-hydrolysis-aldol sequence in dehydrozaluzanin C for the total synthesis of ainsliadimer A and gochnatiolide D.

  这只是溶剂的问题！六氟异丙醇 (HFIP) 的特殊性质可以诱导 dehydrozaluzanin C 中的一锅二聚-水解-羟醛序列，从而全合成 ainsliadimer A 和 gochnatiolide D。
• WO2015/161824
  申请人：——

  公开号：——

  公开（公告）日：——
• Sesquiterpenoids
  申请人：National Institute of Biological Sciences, Beijing

  公开号：US20170044180A1

  公开（公告）日：2017-02-16

  The invention provides novel compounds and compositions for inhibiting IKKα/β, including treating disorders associated with IKKα/β activity, including cancer, autoimmune and inflammatory disorders, with a compound of structure:
• US9670226B2
  申请人：——

  公开号：US9670226B2

  公开（公告）日：2017-06-06
• A Biomimetic Total Synthesis of (+)-Ainsliadimer A
  作者：Chao Li、Xueliang Yu、Xiaoguang Lei

  DOI：10.1021/ol101705j

  日期：2010.10.1

  A protecting group free and biomimetic total synthesis of (+)-ainsliadimer A has been accomplished in 14 steps from a-santonin. The synthesis relies on a hydrogen bonding promoted [4 + 2]-hetero-Diels-Alder dimerization to afford the key homodimer intermediate, which demonstrates the feasibility of using nonenzymatic conditions to achieve the proposed biosynthesis.