(1S,4R,6S,7R,13R)-7-(2-Furan-3-yl-ethyl)-4-hydroxy-2,13-dimethyl-9-oxa-tricyclo[5.3.3.0^1,6]tridec-2-en-8-one | 128554-00-7

• 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: (1S,4R,6S,7R,13R)-7-(2-Furan-3-yl-ethyl)-4-hydroxy-2,13-dimethyl-9-oxa-tricyclo[5.3.3.0^1,6]tridec-2-en-8-one
• 英文别名: (1S,4R,6S,7R,13R)-7-[2-(furan-3-yl)ethyl]-4-hydroxy-2,13-dimethyl-9-oxatricyclo[5.3.3.01,6]tridec-2-en-8-one
• CAS: 128554-00-7
• 化学式: C₂₀H₂₆O₄
• 分子量: 330.424
• InChiKey: KSGJYTVKJMODGD-VMCMCTHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  59.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (1S,4R,6S,7R,13R)-7-(2-Furan-3-yl-ethyl)-4-hydroxy-2,13-dimethyl-9-oxa-tricyclo[5.3.3.0^1,6]tridec-2-en-8-one 生成 4-Bromo-benzoic acid (1S,4R,6S,7R,13R)-7-(2-furan-3-yl-ethyl)-2,13-dimethyl-8-oxo-9-oxa-tricyclo[5.3.3.0^1,6]tridec-2-en-4-yl ester
  参考文献：
  名称：

  ITOKAWA, HIDEJI;ICHIHARA, YOSHITATSU;SHIMIZU, MASAHIRO;TAKEYA, KOICHI;MOT+, CHEM. AND PHARM. BULL., 38,(1990) N, C. 701-705

  摘要：

  DOI：
• 作为产物：
  描述：

  1-萘羧酸,4a-甲酰基-1-[2-(3-呋喃基)乙基]-1,2,3,4,4a,7,8,8a-八氢-2,5-二甲基-7-羰基-,甲基酯,(1R,2R,4aS,8aS)- 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以8.5 mg的产率得到(1S,4R,6S,7R,13R)-7-(2-Furan-3-yl-ethyl)-4-hydroxy-2,13-dimethyl-9-oxa-tricyclo[5.3.3.0^1,6]tridec-2-en-8-one
  参考文献：
  名称：

  Cajucarins A and b, new clerodane diterpenes from Croton cajucara, and their conformations.

  摘要：

  Two new clerodane diterpenes, cajucarins A (1) and B (2), were isolated from the cortices of Croton cajucara. The conformations of 1 and 2 were studied by means of spectroscopic methods and molecular orbital calculations.

  DOI：

  10.1248/cpb.38.701