Chem
J-GLOBAL ID：200907041526502092   Nikkaji number：J2.671.583K

RU-43044

17β-ヒドロキシ-19-(4-メチルフェニル)-17-(1-プロピニル)アンドロスタ-4,9(11)-ジエン-3-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： C29H34O2
Molecular formula furigana： C29-H34-O2
Molecular weight： 414.589
InChI： InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24-,25-,27-,28+,29-/m0/s1
InChI key： NSUUUQRFPXZFLI-ZPCMSWJYSA-N
SMILES： CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C
Systematic name  (3)：
  • 17β-ヒドロキシ-19-(4-メチルフェニル)-17-(1-プロピニル)アンドロスタ-4,9(11)-ジエン-3-オン
  • (1S,3aS,3bS,9aR,11aS)-1-ヒドロキシ-11a-メチル-9a-[(4-メチルフェニル)メチル]-1-(プロパ-1-イン-1-イル)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1S,3aS,3bS,9aR,11aS)-1-hydroxy-11a-methyl-9a-[(4-methylphenyl)methyl]-1-(prop-1-yn-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (2)：
  • 17β-Hydroxy-19-(4-methylphenyl)-17-(1-propynyl)androsta-4,9(11)-diene-3-one
  • RU-43044
CAS registry number： 136959-96-1
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