dimethyl shelloate | 22597-13-3

• 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: dimethyl shelloate
• 英文别名: (8aS)-4c-hydroxy-8t-methyl-8c-hydroxymethyl-(8arH)-1.2.4,7.8.8a-hexahydro-3H-3at.7t-methano-azulene-dicarboxylic acid-(3c.6)-dimethyl ester；(8aS)-4c-Hydroxy-8t-methyl-8c-hydroxymethyl-(8arH)-1.2.4,7.8.8a-hexahydro-3H-3at.7t-methano-azulen-dicarbonsaeure-(3c.6)-dimethylester；Schellolsaeure-dimethylester；Shellolsaeure-dimethylester；Dimethyl shellolate；Dimethyl-schellolat；dimethyl (1S,2R,5S,6S,7R,10S)-10-hydroxy-6-(hydroxymethyl)-6-methyltricyclo[5.3.1.01,5]undec-8-ene-2,8-dicarboxylate
• CAS: 22597-13-3
• 化学式: C₁₇H₂₄O₆
• 分子量: 324.374
• InChiKey: RPRKMIRJBCDBPO-LFCXMHMLSA-N

物化性质

• 熔点：
  150 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  453.1±45.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  dimethyl shelloate 、 十八烷酰氯 在 吡啶 作用下， 生成 13-O-Stearate of Dimethyl Shellolate
  参考文献：
  名称：

  Subramanian,G.B.V. et al., Journal of the Chemical Society. Perkin transactions I, 1979, p. 2167 - 2170

  摘要：

  DOI：
• 作为产物：
  描述：

  甲醇 、 (3R,8aalpha)-2,3,4,7,8,8a-六氢-4beta-羟基-8beta-(羟基甲基)-8alpha-甲基-1H-3aalpha,7alpha-甲桥薁-3beta,6-二甲酸 在 盐酸 作用下， 生成 dimethyl shelloate
  参考文献：
  名称：

  Gidvani, Journal of the Chemical Society, 1944, p. 306

  摘要：

  DOI：

文献信息

• Gidvani, Journal of the Chemical Society, 1944, p. 306
  作者：Gidvani

  DOI：——

  日期：——
• InSb-InAs alloys prepared by rapid quenching (106–108 K/s)
  作者：V. M. Glazov、K. B. Poyarkov

  DOI：10.1007/bf02757973

  日期：2000.10

  Homogeneous InSb-InAs alloys are prepared by rapid quenching (10(6)-10(8) K/s) from the liquid state. As evidenced by x-ray diffraction studies, rapid quenching prevents liquid-phase segregation, so that solidification proceeds by a diffusionless mechanism. The lattice parameters of the rapidly quenched alloys are determined. The effects of melt overheating and sample thickness on the diffusionless solidification process are analyzed. The nonlinear composition dependence of the lattice parameter in the InSb-InAs system is accounted for using the calculated degrees of dissociation of InSb and InAs along the liquidus line and at 1000 degreesC and the covalent radii of the constituent elements.
• Subramanian,G.B.V. et al., Journal of the Chemical Society. Perkin transactions I, 1979, p. 2167 - 2170
  作者：Subramanian,G.B.V. et al.

  DOI：——

  日期：——