3β-hydroxy-16,17-seco-androst-5-ene-16,17-dioic acid dimethyl ester | 33534-57-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3β-hydroxy-16,17-seco-androst-5-ene-16,17-dioic acid dimethyl ester
• 英文别名: 3β-Hydroxy-16,17-seco-androst-5-en-16,17-disaeure-dimethylester；3β-Hydroxy-16.17-seco-androsten-(5)-disaeure-(16.17)-dimethylester；methyl (1S,2S,4aS,4bR,7S,10aR)-7-hydroxy-1-(2-methoxy-2-oxoethyl)-2,4b-dimethyl-1,3,4,4a,5,6,7,8,10,10a-decahydrophenanthrene-2-carboxylate
• CAS: 33534-57-5
• 化学式: C₂₁H₃₂O₅
• 分子量: 364.482
• InChiKey: PAZTWNZOOCFOIZ-FMZZOXHWSA-N

物化性质

• 熔点：
  112 °C
• 沸点：
  457.9±45.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.25
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  72.83
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  3β-hydroxy-16,17-seco-androst-5-ene-16,17-dioic acid dimethyl ester 在 甲醇 、 potassium carbonate 作用下， 生成 3β-hydroxy-16.17-seco-androstene-(5)-dioic acid-(16.17)-17-methyl ester
  参考文献：
  名称：

  Can the human intervertebral disc be compared to a diarthrodial joint?

  摘要：

  The joint between human vertebral bodies is traditionally classified as a symphysis, a major cartilaginous synarthrosis. However, it has been suggested by some authors to compare the intervertebral disc (IVD) to a diarthrodial joint. The bases of this comparison are reviewed and discussed. In his description of 1895, Luschka saw the IVD as a diarthrodial joint containing articular cartilages and synovium in the annulus fibrosus. Subsequently, histologic and ultrastructural investigations into the cells and extracellular matrix of the nucleus pulposus (NP) supported the same hypothesis. More recently, the appearances of the IVD in magnetic resonance imaging (MRI) and discography, as well as clinical considerations were interpreted in the same way to simplify understanding of IVD pathology. However, a number of objections involving general, morphological, embryological, biochemical, histologic, radiological and clinical considerations demonstrate the limitations of this hypothesis. The general structural and mechanical principles of joint classification are mentioned to highlight the basic differences between the IVD and a synovial joint. An overview of the development of these joints, and a review of the literature dealing with ultrastructural aspects of the NP, with histopathological studies of the IVD, and with the normal appearance of the IVD on MRI and its age-related changes has led us to refute the hypothesis of this analogy. The IVD cannot be compared to a synovial joint, explaining why most of its pathologic features are quite different from those of a joint of the appendicular skeleton.

  DOI：

  10.1007/s00276-000-0101-8
• 作为产物：
  描述：

  3β-hydroxy-17.17a-seco-D-homo-androstene-(5)-dioic acid-(17.17a) 在 氢氧化钾 、 二氯甲烷 、 碘 作用下， 生成 3β-hydroxy-16,17-seco-androst-5-ene-16,17-dioic acid dimethyl ester
  参考文献：
  名称：

  Hershberg; Schwenk; Stahl, Archives of Biochemistry, 1948, vol. 19, p. 300,306

  摘要：

  DOI：

文献信息

• Hirschmann, Journal of Biological Chemistry, 1943, vol. 150, p. 363,373
  作者：Hirschmann

  DOI：——

  日期：——
• Structural Changes of Humic Acids During Olive Mill Pomace Composting
  作者：U. Tomati、E. Madejon、E. Galli、D. Capitani、A.L. Segre

  DOI：10.1080/1065657x.2001.10702027

  日期：2001.3
• Papineau-Couture; Richardson; Grant, Canadian Journal of Research, Section B: Chemical Sciences, 1949, vol. 27, p. 902,905
  作者：Papineau-Couture、Richardson、Grant

  DOI：——

  日期：——
• Wettstein et al., 1941, p. 332,353
  作者：Wettstein et al.

  DOI：——

  日期：——
• Lactones Prepared from Dehydroisoandrosterone
  作者：Carl von Seemann、Gordon A. Grant

  DOI：10.1021/ja01165a065

  日期：1950.9