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HIT212686847
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HIT212686847
  • HIT ID:HIT212686847
  • Cas No:1261254-31-2
  • 常用名:Aldosterone-d8
  • 别名:醛固酮 D8, Aldosterone D8
  • IUPAC:(1R,2S,5S,6S,14R,15S,16S)-18-hydroxy-2-[2-hydroxy(2,2-2H2)acetyl]-14-methyl(2,8,8,10,12,12-2H6)-17-oxapentacyclo[14.2.1.0^{1,5}.0^{6,15}.0^{9,14}]nonadec-9-en-11-one
    IUPAC:(1R,2S,5S,6S,14R,15S,16S)-18-hydroxy-2-[2-hydroxy(2,2-2H2)acetyl]-14-methyl(2,8,8,10,12,12-2H6)-17-oxapentacyclo[14.2.1.0^{1,5}.0^{6,15}.0^{9,14}]nonadec-9-en-11-one
  • InChI key:QUQBHBRVKLEOEI-CLSMCGPSSA-N
  • 分子式:C21H28O5
  • 分子量:368.499
  • 氢键供体数 (HBD):2
  • 氢键受体数 (HBA):5
  • LogP:1.5393001
  • SMILES:[H][C@@]12C[C@]3(C(O)O1)[C@]([2H])(CC[C@@]3([H])[C@]1([H])CC([2H])([2H])C3=C([2H])C(=O)C([2H])([2H])C[C@]3(C)[C@@]21[H])C(=O)C([2H])([2H])O |c:21|
    SMILES:[H][C@@]12C[C@]3(C(O)O1)[C@]([2H])(CC[C@@]3([H])[C@]1([H])CC([2H])([2H])C3=C([2H])C(=O)C([2H])([2H])C[C@]3(C)[C@@]21[H])C(=O)C([2H])([2H])O |c:21|
  • Aldosterone D8, a deuterium-labeled variant of Aldosterone produced in the adrenal zona glomerulosa, regulates blood pressure.
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