16alpha-Hydroxyestrone 16ALPHA-羟基雌酚酮

CAS 566-76-7 MFCD00870436

化学结构图

566-76-7
SMILES: C[C@@]12CC[C@@H]3[C@H](CCC4C=C(O)C=CC=43)[C@H]1C[C@H](O)C2=O |&1:1,4,5,15,17|

化学属性

Mol. FormulaC18H22O3
Mol. Weight286.37
Melting Point209-211 °C
Boiling Point493.2±45.0 °C at 760 mmHg

别名和识别编码

Chemical Name16alpha-Hydroxyestrone
CAS Number566-76-7
Synonym 16α-Hydroxyestrone {LY} 16α-Hydroxyestrone {} {LY} 16α-Hydroxyestrone {} {} {LY} 16α-Hydroxyestrone {} {} {} {LY} 16α-Hydroxyestrone {} {} {} {} {LY} 16α-Hydroxyestrone {} {} {} {} {} {LY} 16α-Hydroxyestrone {} {} {} {} {} {} {LY} 16α-Hydroxyestrone {} {} {} {} {} {} {} {LY} 16α-Hydroxyestrone {} {} {} {} {} {} {} {} {LY} 16α-Hydroxyestrone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 16α-Hydroxyestrone {} {} {} {} {} {} {} {} {} {} {LY} 16α-Hydroxyestrone {} {} {} {} {} {} {} {} {} {} {} {LY} 16α-Hydroxyestrone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 16α-Hydroxyestrone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 16α-Hydroxyestrone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 16α-Hydroxyestrone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 16α-Hydroxyestrone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 16α-Hydroxyestrone
MDL NumberMFCD00870436
PubChem Substance ID24895817
Chemical Name Translation16ALPHA-羟基雌酚酮
Canonical SMILESC[C@]1([C@](C[C@H]2O)([H])[C@]3([H])CCC4=C(C=CC(O)=C4)[C@@]3([H])CC1)C2=O
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分类

  • Metabolites & Impurities
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • Steroids,
  • {uni_hamburg} no charge; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 13ring; 14ring; 17ring; ketone; alcohol; chiral; 1fragment

产品应用

  • A major metabolite of Estradiol.

相关文献及参考

  • Fishman, H.G, et al.: Biochemistry, 8, 4304 (1969),
  • Ryan, Sugar, J., et al.: J. Clin. Endocrinol. Metab., 50, 137 (1980),
  • Numazawa, M., et al.: Steroids, 38, 149 (1981),
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
Hazard statements
  • H351 Suspected of causing cancer 怀疑致癌
RTECSKG7749550
Signal word Warning
Hazard Codes Xn
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
Storage condition -20°C {LY} -20°C {} {LY} -20°C {} {} {LY} -20°C {} {} {} {LY} -20°C {} {} {} {} {LY} -20°C {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

系列性分类

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