Chem
J-GLOBAL ID：200907027460889230   Nikkaji number：J2.028.854J

3β-Hydroxy(19,19,19-2H3)pregna-5-ene-20-one

3β-ヒドロキシ(19,19,19-2H3)プレグナ-5-エン-20-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H29[2H]3O2
Molecular formula furigana： C21-H32-O2
Molecular weight： 319.503
InChI： InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1/i2D3
InChI key： ORNBQBCIOKFOEO-DAFIHVBMSA-N
SMILES： C([2H])([2H])([2H])[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]3CC[C@H](C(=O)C)[C@@]3(C)CC[C@H]21
Systematic name  (3)：
  • 3β-ヒドロキシ(19,19,19-2H3)プレグナ-5-エン-20-オン
  • 1-[(1S,3aS,3bS,7S,9aR,9bS,11aS)-7-ヒドロキシ-9a-(2H3)メチル-11a-メチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]エタン-1-オン
  • 1-[(1S,3aS,3bS,7S,9aR,9bS,11aS)-7-hydroxy-9a-(2H3)methyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethan-1-one
Other name (1)：
  • 3β-Hydroxy(19,19,19-2H3)pregna-5-ene-20-one
Thsaurus map：
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