5-hydroxy-8,8-dimethyl-3,3a,4,5,6,7,8,8b-octahydro-indeno[1,2-b]furan-2-one | 96850-10-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 5-hydroxy-8,8-dimethyl-3,3a,4,5,6,7,8,8b-octahydro-indeno[1,2-b]furan-2-one
• 英文别名: 5-Hydroxy-8,8-dimethyl-3,3a,4,5,6,7,8,8b-octahydroindeno[1,2-b]furan-2-one；5-hydroxy-8,8-dimethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-b]furan-2-one
• CAS: 96850-10-1
• 化学式: C₁₃H₁₈O₃
• 分子量: 222.284
• InChiKey: FVBRMDCANIBWHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-hydroxy-8,8-dimethyl-3,3a,4,5,6,7,8,8b-octahydro-indeno[1,2-b]furan-2-one 在 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 以87%的产率得到8,8-dimethyl-3a,4,6,7,8,8b-hexahydro-3H-indeno[1,2-b]furan-2,5-dione
  参考文献：
  名称：

  Structure and synthesis of orobanchol, the germination stimulant for Orobanche minor

  摘要：

  The structure of orobanchol, a new germination stimulant isolated from red clover (Trifolium pratense), was proposed as 2a (tentative absolute configuration) on the basis of GC-MS comparison of the natural product with synthetic (+/-)-2a. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02495-2

文献信息

• SAMSON, E.;FRISCHMUTH, K.;BERLAGE, U.;HEINZ, U.;HOBERT, K.;WELZEL, P., TETRAHEDRON, 47,(1991) N, C. 1411-1416
  作者：SAMSON, E.、FRISCHMUTH, K.、BERLAGE, U.、HEINZ, U.、HOBERT, K.、WELZEL, P.

  DOI：——

  日期：——
• Structure and synthesis of orobanchol, the germination stimulant for Orobanche minor
  作者：Kenji Mori、Junichi Matsui、Takao Yokota、Hidenori Sakai、Masahiko Bando、Yasutomo Takeuchi

  DOI：10.1016/s0040-4039(98)02495-2

  日期：1999.1

  The structure of orobanchol, a new germination stimulant isolated from red clover (Trifolium pratense), was proposed as 2a (tentative absolute configuration) on the basis of GC-MS comparison of the natural product with synthetic (+/-)-2a. (C) 1999 Elsevier Science Ltd. All rights reserved.