Estrone-ethyl carbonate | 105660-12-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: Estrone-ethyl carbonate
• 英文别名: 3-ethoxycarbonyloxy-estra-1,3,5(10)-trien-17-one；3-Aethoxycarbonyloxy-oestra-1,3,5(10)-trien-17-on；ethyl [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] carbonate
• CAS: 105660-12-6
• 化学式: C₂₁H₂₆O₄
• 分子量: 342.435
• InChiKey: ZYCKOAZLWMCLLK-WIRSXHRWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 乙醇 作用下， 生成 Estrone-ethyl carbonate
  参考文献：
  名称：

  Phantoms for Cross-Calibration of Dual Energy X-ray Absorptiometry Measurements in Infants

  摘要：

  Objective: To test the suitability of phantoms to cross-calibrate body composition measurements in small subjects among different dual energy X-ray absorptiometry (DXA) instruments.Methods: A set of four phantoms with total weights 1520g, 3140g, 4650g and 7490g were made with low cost and easily available materials. Each phantom was made from assembling polyethylene bottles (100 to 1000 mL) filled with either pure olive oil or electrolyte solution in different combinations, and borosilicate tubes (3 and 5 mL) and flexible polypropylene tubing filled with calcium carbonate. Triplicate measurements of each of the four phantoms were performed with three pencil beam densitometers made by the same manufacturer (Hologic Inc., Waltham, MA): two QDR 2000 (University of Liege, Liege, Belgium, and Wayne State University, Detroit, Michigan) and a QDR1500 (University Children's Hospital, Greifswald, Germany) using infant whole body-scanning mode and analyzed with software V5.73P.Results: DXA measured total weight, or bone, lean and fat masses, from one center were highly predictive of DXA measurements from the other centers with an adjusted r(2) of 0.94 to 1.00, p < 0.001. This was the case whether the measurements from single scan or from average of triplicate scans were used in the analysis.Conclusions: Systematic corrections, in the form of linear transformations, are possible to allow comparison of clinical data generated from different centers. Different size phantoms can be made to accommodate the varying range of weights and body composition of study subjects.

  DOI：

  10.1080/07315724.2002.10719230

文献信息

• Selective reactions of some steroids with diethyl dicarbonate. Selektive Reaktionen einiger Steroide mit Pyrokohlensäurediaethylester.
  作者：I. Weisz、P. Agócs

  DOI：10.1002/ardp.19863191016

  日期：——

  Diethyl dicarbonate (diethyl pyrocarbonate, DPC) is an excellent reagent1,2) for the preparation of carbonate derivatives of amines, phenols1), alcohols3) as well as for the preparation of carboxylic acid esters2). It is not necessary to use pyridine or any other acid binding agent in the reaction as in case of chlorocarbonate esters, therefore, the reaction products are obtained directly on evaporating

  二碳酸二乙酯（焦碳酸二乙酯，DPC）是一种极好的试剂1,2) 用于制备胺、酚类1)、醇类3) 的碳酸酯衍生物以及用于制备羧酸酯2)。在氯代碳酸酯的情况下，在反应中不需要使用吡啶或任何其他酸结合剂，因此，通过蒸发溶剂和过量试剂直接获得反应产物。
• A novel GC-MS method in urinary estrogen analysis from postmenopausal women with osteoporosis
  作者：Ju-Yeon Moon、Kwang Joon Kim、Myeong Hee Moon、Bong Chul Chung、Man Ho Choi

  DOI：10.1194/jlr.d016113

  日期：2011.8

  Estrogen metabolites play important roles in the development of female-related disorders and homeostasis of the bone. To improve detectability, a validated gas chromatography-mass spectrometry (GC-MS) method was conducted with two-phase extractive ethoxycarbonlyation (EOC) and subsequent pentafluoropropionyl (PFP) derivatization was introduced. The resulting samples were separated through a high-temperature MXT-1 column within an 8 min run and were detected in the selected ion monitoring (SIM) mode. The optimized analytical conditions led to good separation with a symmetric peak shape for 19 estrogens as their EOC-PFP derivatives. The limit of quantification (LOQ) was from 0.02 to similar to 0.1 ng/ml for most estrogens analyzed, except for 2-hydroxyestriol (0.5 ng/ml). The devised method was found to be linear (r(2) > 0.995) in the range from the LOQ to 40 ng/ml, whereas the precision (% CV) and accuracy (% bias) ranged from 1.4 to 10.5% and from 91.4 to 108.5%, respectively. The good sensitivity and selectivity of this method even allowed quantification of the estrogen metabolites in urine samples obtained from the postmenopausal female patients with osteoporosis. The present technique can be useful for clinical diagnosis as well as to better understand the pathogenesis of estrogen-related disorders in low-level quantification.-Moon, J-Y., K. J. Kim, M. H. Moon, B. C. Chung, and M. H. Choi. A novel GC-MS method in urinary estrogen analysis from postmenopausal women with osteoporosis. J. Lipid Res. 2011. 52: 1595-1603.
• Phantoms for Cross-Calibration of Dual Energy X-ray Absorptiometry Measurements in Infants
  作者：Mouhanad Hammami、Jean-Charles Picaud、Christoph Fusch、Elaine M. Hockman、Jacques Rigo、Winston W.K. Koo

  DOI：10.1080/07315724.2002.10719230

  日期：2002.8

  Objective: To test the suitability of phantoms to cross-calibrate body composition measurements in small subjects among different dual energy X-ray absorptiometry (DXA) instruments.Methods: A set of four phantoms with total weights 1520g, 3140g, 4650g and 7490g were made with low cost and easily available materials. Each phantom was made from assembling polyethylene bottles (100 to 1000 mL) filled with either pure olive oil or electrolyte solution in different combinations, and borosilicate tubes (3 and 5 mL) and flexible polypropylene tubing filled with calcium carbonate. Triplicate measurements of each of the four phantoms were performed with three pencil beam densitometers made by the same manufacturer (Hologic Inc., Waltham, MA): two QDR 2000 (University of Liege, Liege, Belgium, and Wayne State University, Detroit, Michigan) and a QDR1500 (University Children's Hospital, Greifswald, Germany) using infant whole body-scanning mode and analyzed with software V5.73P.Results: DXA measured total weight, or bone, lean and fat masses, from one center were highly predictive of DXA measurements from the other centers with an adjusted r(2) of 0.94 to 1.00, p < 0.001. This was the case whether the measurements from single scan or from average of triplicate scans were used in the analysis.Conclusions: Systematic corrections, in the form of linear transformations, are possible to allow comparison of clinical data generated from different centers. Different size phantoms can be made to accommodate the varying range of weights and body composition of study subjects.