[(3R,3aR,6aR,8S,9aR,9bR)-3-methyl-6,9-dimethylidene-2-oxo-3-phenylselanyl-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] 2-phenylselanylacetate | 82206-98-2

• 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: [(3R,3aR,6aR,8S,9aR,9bR)-3-methyl-6,9-dimethylidene-2-oxo-3-phenylselanyl-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] 2-phenylselanylacetate
• CAS: 82206-98-2
• 化学式: C₂₉H₃₀O₄Se₂
• 分子量: 600.475
• InChiKey: UERFKAYCRFOCAV-KUHFXLAJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.64
• 重原子数：
  35.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  [(3R,3aR,8S,9aR,9bR)-3,6-dimethyl-9-methylidene-2-oxo-3-phenylselanyl-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-8-yl] 2-phenylselanylacetate 、 [(3R,3aR,6aR,8S,9aR,9bR)-3,6-dimethyl-9-methylidene-2-oxo-3-phenylselanyl-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-8-yl] 2-phenylselanylacetate 、 [(3R,3aR,6aR,8S,9aR,9bR)-3-methyl-6,9-dimethylidene-2-oxo-3-phenylselanyl-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] 2-phenylselanylacetate 生成 (3R,3aR,8S,9aR,9bR)-8-hydroxy-3,6-dimethyl-9-methylidene-3-phenylselanyl-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
  参考文献：
  名称：

  ANDO, MASAYOSHI;KUSAKA, HARUHIKO;OHARA, HIROSHI;TAKASE, KAHEI;YAMAOKA, HI+, J. ORG. CHEM., 54,(1989) N, C. 1952-1960

  摘要：

  DOI：
• 作为产物：
  描述：

  二苯基二硒醚 、 (11S)-3α,4α-epoxy-1β-(mesyloxy)eudesmano-13,6α-lactone 生成 [(3R,3aR,8S,9aR,9bR)-3,6-dimethyl-9-methylidene-2-oxo-3-phenylselanyl-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-8-yl] 2-phenylselanylacetate 、 [(3R,3aR,6aR,8S,9aR,9bR)-3-methyl-6,9-dimethylidene-2-oxo-3-phenylselanyl-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl] 2-phenylselanylacetate 、 [(3R,3aR,6aR,8S,9aR,9bR)-3,6-dimethyl-9-methylidene-2-oxo-3-phenylselanyl-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-8-yl] 2-phenylselanylacetate 、 3β-hydroxy-11β-(phenylseleno)guaia-4(15),10(14)-dieno-12,6α-lactone
  参考文献：
  名称：

  Studies on the syntheses of sesquiterpene lactones. 11. The syntheses of 3-epizaluzanin C, zaluzanin C, zaluzanin D, and related compounds 3.alpha.-hydroxyguaia-1(10),4(15),11(13)-trieno-12,6.alpha.-lactone and 3.alpha.-hydroxyguaia-4(15),9,11(13)-trieno-12,6.alpha.-lactone

  摘要：

  DOI：

  10.1021/jo00269a039