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1α,17β-dihydroxy-17α-methyl-5α-androst-2-ene | 13974-36-2

中文名称
——
中文别名
——
英文名称
1α,17β-dihydroxy-17α-methyl-5α-androst-2-ene
英文别名
17-Methyl-androst-2-ene-1,17-diol, (1alpha,5alpha,17beta)-;(1S,5S,8R,9S,10S,13S,14S,17S)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-1,17-diol
1α,17β-dihydroxy-17α-methyl-5α-androst-2-ene化学式
CAS
13974-36-2
化学式
C20H32O2
mdl
——
分子量
304.473
InChiKey
SJDLTXFILISTBP-DVEALZNXSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    102-104 °C
  • 沸点:
    420.7±45.0 °C(Predicted)
  • 密度:
    1.088±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    4.2
  • 重原子数:
    22
  • 可旋转键数:
    0
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.9
  • 拓扑面积:
    40.5
  • 氢给体数:
    2
  • 氢受体数:
    2

SDS

SDS:d8a6d5ca087a8f0938acd42b9260d3e4
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上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    1α,17β-dihydroxy-17α-methyl-5α-androst-2-ene 在 sodium tetrahydroborate 、 Jones reagent 作用下, 以 甲醇丙酮 为溶剂, 反应 1.5h, 生成 1β,17β-dihydroxy-17α-methyl-5α-androst-2-ene
    参考文献:
    名称:
    Characterization of desoxymethyltestosterone main urinary metabolite produced from cultures of human fresh hepatocytes
    摘要:
    Desoxymethyltestosterone (DMT; 17 beta-hydroxy-17 alpha-methyl-5 alpha-androst-2-ene) is a designer steroid present in hormonal supplements distributed illegally as such or in combination with other steroids, for self-administration. It figures on the list of substances prohibited in sports and its detection in athlete's urine samples is based upon the presence of the parent compound or the main urinary metabolite, which has not been characterized yet. Following its isolation from cultures of human fresh hepatocytes and S9 fractions of liver homogenates, we were able to identify this metabolite as being 17 alpha-methyl-2 beta,3 alpha,17 beta-trihydroxy-5 alpha-androstane. Other minor metabolites were also characterized. The production, isolation, NMR, mass spectral analyses and chemical synthesis are presented. (c) 2012 Elsevier Inc. All rights reserved.
    DOI:
    10.1016/j.steroids.2012.02.008
  • 作为产物:
    参考文献:
    名称:
    Characterization of desoxymethyltestosterone main urinary metabolite produced from cultures of human fresh hepatocytes
    摘要:
    Desoxymethyltestosterone (DMT; 17 beta-hydroxy-17 alpha-methyl-5 alpha-androst-2-ene) is a designer steroid present in hormonal supplements distributed illegally as such or in combination with other steroids, for self-administration. It figures on the list of substances prohibited in sports and its detection in athlete's urine samples is based upon the presence of the parent compound or the main urinary metabolite, which has not been characterized yet. Following its isolation from cultures of human fresh hepatocytes and S9 fractions of liver homogenates, we were able to identify this metabolite as being 17 alpha-methyl-2 beta,3 alpha,17 beta-trihydroxy-5 alpha-androstane. Other minor metabolites were also characterized. The production, isolation, NMR, mass spectral analyses and chemical synthesis are presented. (c) 2012 Elsevier Inc. All rights reserved.
    DOI:
    10.1016/j.steroids.2012.02.008
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文献信息

  • Anabolic Agents. A-Ring Oxygenated Androstane Derivatives
    作者:P. D. Klimstra、R. Zigman、R. E. Counsell
    DOI:10.1021/jm00324a029
    日期:1966.11
  • Characterization of desoxymethyltestosterone main urinary metabolite produced from cultures of human fresh hepatocytes
    作者:Julie Gauthier、Donald Poirier、Christiane Ayotte
    DOI:10.1016/j.steroids.2012.02.008
    日期:2012.5
    Desoxymethyltestosterone (DMT; 17 beta-hydroxy-17 alpha-methyl-5 alpha-androst-2-ene) is a designer steroid present in hormonal supplements distributed illegally as such or in combination with other steroids, for self-administration. It figures on the list of substances prohibited in sports and its detection in athlete's urine samples is based upon the presence of the parent compound or the main urinary metabolite, which has not been characterized yet. Following its isolation from cultures of human fresh hepatocytes and S9 fractions of liver homogenates, we were able to identify this metabolite as being 17 alpha-methyl-2 beta,3 alpha,17 beta-trihydroxy-5 alpha-androstane. Other minor metabolites were also characterized. The production, isolation, NMR, mass spectral analyses and chemical synthesis are presented. (c) 2012 Elsevier Inc. All rights reserved.
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