13β-hydroxysparteine | 15402-87-6

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 羽扇豆生物碱
• 英文名称: 13β-hydroxysparteine
• 英文别名: (7S)-(7ac,14at)-dodecahydro-7r,14c-methano-dipyrido[1,2-a;1',2'-e][1,5]diazocin-2c-ol；(1S,2S,4R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol
• CAS: 15402-87-6
• 化学式: C₁₅H₂₆N₂O
• 分子量: 250.384
• InChiKey: MMXKVQSOWVEFOB-AHDPXTMNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  13β-hydroxylupanine 在 platinum(IV) oxide 氢气 作用下， 以 盐酸 为溶剂， 反应 150.0h， 以85%的产率得到13β-hydroxysparteine
  参考文献：
  名称：

  On the structure and spectroscopic properties of two 13-hydroxysparteine epimers

  摘要：

  The C-13 and H-1 NNIR spectra of 13 alpha-hydroxysparteine and 13 beta-hydroxysparteine in CDCl3 have permitted identification of their conformation with ring C a boat, the same as that of sparteine. Very weak hydrogen bond involving hydroxy group does not shift a possible conformation equilibrium as it occurs in 13 alpha-hydroxy-2-oxosparteine and 13 beta-hydroxy-2-oxosparteine. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2006.08.005

文献信息

• Bohlmann et al., Chemische Berichte, 1958, vol. 91, p. 2194,2197
  作者：Bohlmann et al.

  DOI：——

  日期：——
• On the structure and spectroscopic properties of two 13-hydroxysparteine epimers
  作者：Tadeusz Brukwicki、Jacek Włodarczak、Waleria Wysocka

  DOI：10.1016/j.molstruc.2006.08.005

  日期：2007.4

  The C-13 and H-1 NNIR spectra of 13 alpha-hydroxysparteine and 13 beta-hydroxysparteine in CDCl3 have permitted identification of their conformation with ring C a boat, the same as that of sparteine. Very weak hydrogen bond involving hydroxy group does not shift a possible conformation equilibrium as it occurs in 13 alpha-hydroxy-2-oxosparteine and 13 beta-hydroxy-2-oxosparteine. (c) 2006 Elsevier B.V. All rights reserved.