Chem
J-GLOBAL ID:200907080989298694   Nikkaji number:J2.048.005J

(19S)-(17α,19-2H2)Androsta-5-ene-17β,19-diol diacetate

(19S)-(17α,19-2H2)アンドロスタ-5-エン-17β,19-ジオールジアセタート
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: C23H32[2H]2O4
Molecular formula furigana: C23-H34-O4
Molecular weight: 376.533
InChI: InChI=1S/C23H34O4/c1-15(24)26-14-23-12-5-4-6-17(23)7-8-18-19-9-10-21(27-16(2)25)22(19,3)13-11-20(18)23/h7,18-21H,4-6,8-14H2,1-3H3/t18-,19-,20-,21-,22-,23+/m0/s1/i14D,21D/t14-,18-,19-,20-,21-,22-,23+
InChI key: TVPCVKRZWKHBKO-AMCWPAOZSA-N
SMILES: C([2H])(OC(=O)C)[C@]12CCCCC1=CC[C@H]1[C@@H]3CC[C@]([2H])(OC(=O)C)[C@@]3(C)CC[C@H]21
Systematic name  (3):
  • (19S)-(17α,19-2H2)アンドロスタ-5-エン-17β,19-ジオールジアセタート
  • (S)-[(1S,3aS,3bR,9aS,9bS,11aS)-1-(アセチルオキシ)-11a-メチル(1-2H)-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-9a-イル](2H1)メチル アセタート
  • (S)-[(1S,3aS,3bR,9aS,9bS,11aS)-1-(acetyloxy)-11a-methyl(1-2H)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9a-yl](2H1)methyl acetate
Other name (1):
  • (19S)-(17α,19-2H2)Androsta-5-ene-17β,19-diol diacetate
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