Chem
J-GLOBAL ID：201007028213310804   Nikkaji number：J2.790.756C

17β-Pyrazol-3-ylandrost-5-en-3β-ol

17β-(1H-ピラゾール-3-イル)アンドロスタ-5-エン-3β-オール
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： C22H32N2O
Molecular formula furigana： C22-H32-N2-O
Molecular weight： 340.511
InChI： InChI=1S/C22H32N2O/c1-21-10-7-15(25)13-14(21)3-4-16-17-5-6-19(20-9-12-23-24-20)22(17,2)11-8-18(16)21/h3,9,12,15-19,25H,4-8,10-11,13H2,1-2H3,(H,23,24)/t15-,16-,17-,18-,19+,21-,22-/m0/s1
InChI key： XUSSDKMAUSOQSK-SPHVDITISA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2c1cc[nH]n1
Systematic name  (3)：
  • 17β-(1H-ピラゾール-3-イル)アンドロスタ-5-エン-3β-オール
  • (1S,3aS,3bS,7S,9aR,9bS,11aS)-9a,11a-ジメチル-1-(1H-ピラゾール-3-イル)-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-7-オール
  • (1S,3aS,3bS,7S,9aR,9bS,11aS)-9a,11a-dimethyl-1-(1H-pyrazol-3-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
Other name (2)：
  • 17β-(1H-Pyrazole-3-yl)androsta-5-ene-3β-ol
  • 17β-Pyrazol-3-ylandrost-5-en-3β-ol
KEGG COMPOUND： C15197
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