(5R,10S,11E,13aR)-2,4,5,6,7,8,9,10,13,13a-decahydro-13a-hydroxy-4,4,12-trimethyl-8-methylidene-2-oxo-3,5-ethanocyclododeca[b]furan-10-yl acetate | 1202356-08-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: (5R,10S,11E,13aR)-2,4,5,6,7,8,9,10,13,13a-decahydro-13a-hydroxy-4,4,12-trimethyl-8-methylidene-2-oxo-3,5-ethanocyclododeca[b]furan-10-yl acetate
• 英文别名: cespihypotin Z；(+)-(1βH,7E)-6-β-acetoxy-10-hydroxyverticilla-4(18),7,11-triene-10,12-γ-lactone；[(1R,3E,5S,10R)-1-hydroxy-3,17,17-trimethyl-7-methylidene-14-oxo-15-oxatricyclo[8.5.2.013,16]heptadeca-3,13(16)-dien-5-yl] acetate
• CAS: 1202356-08-8
• 化学式: C₂₂H₃₀O₅
• 分子量: 374.477
• InChiKey: MFLZXKVCHASCQI-DYTRAYGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (5R,10S,11E,13aR)-2,4,5,6,7,8,9,10,13,13a-decahydro-13a-hydroxy-4,4,12-trimethyl-8-methylidene-2-oxo-3,5-ethanocyclododeca[b]furan-10-yl acetate 、 乙酸酐 在 吡啶 作用下， 以0.9 mg的产率得到cespitularin S
  参考文献：
  名称：

  Two New Verticillane-Type Diterpenoids from the Formosan Soft Coral Cespitularia hypotentaculata

  摘要：

  Chemical investigations of the Formosan soft coral Cespitularia hypotentaculata ROXAS led to the isolation of two new verticillane diterpenoids, cespitularins R and S (1, 2), along with seven known compounds (3—9). The structures of these isolated compounds were elucidated on the basis of extensive spectroscopic analysis and by comparison with those of reported in literature. The anti-inflammatory activity using RAW 264.7 macrophages of compounds 1—9 were evaluated in vitro.

  DOI：

  10.1248/cpb.58.848