Chem
J-GLOBAL ID：200907072929757506   Nikkaji number：J261.842G

RU-26988

RU-26988
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： C22H26O3
Molecular formula furigana： C22-H26-O3
Molecular weight： 338.447
InChI： InChI=1S/C22H26O3/c1-4-9-22(25)11-8-17-16-6-5-14-12-15(23)7-10-20(14,2)19(16)18(24)13-21(17,22)3/h5-7,10,12,16-19,24-25H,8,11,13H2,1-3H3/t16-,17-,18-,19+,20-,21-,22-/m0/s1
InChI key： IXJKSIRTUSUXQC-ZXYIWLIBSA-N
SMILES： CC#C[C@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Systematic name  (3)：
  • 11β,17β-ジヒドロキシ-17-(1-プロピニル)アンドロスタ-1,4,6-トリエン-3-オン
  • (1S,3aS,3bS,9aR,9bS,10S,11aS)-1,10-ジヒドロキシ-9a,11a-ジメチル-1-(プロパ-1-イン-1-イル)-1H,2H,3H,3aH,3bH,7H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1S,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-1-(prop-1-yn-1-yl)-1H,2H,3H,3aH,3bH,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (2)：
  • RU-26988
  • 11β,17β-Dihydroxy-17-(1-propynyl)androsta-1,4,6-trien-3-one
CAS registry number： 74915-58-5
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