Chem
J-GLOBAL ID：200907051028966850   Nikkaji number：J680.409H

ZK-98296

(13α)-11β-[4-(ジメチルアミノ)フェニル]-17β-ヒドロキシ-17-(1-プロピニル)エストラ-4,9-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： C29H35NO2
Molecular formula furigana： C29-H35-N-O2
Molecular weight： 429.604
InChI： InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28+,29-/m0/s1
InChI key： VKHAHZOOUSRJNA-NVVJBRLPSA-N
SMILES： CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@@]12C)c1ccc(cc1)N(C)C
Systematic name  (3)：
  • (13α)-11β-[4-(ジメチルアミノ)フェニル]-17β-ヒドロキシ-17-(1-プロピニル)エストラ-4,9-ジエン-3-オン
  • (1S,3aS,3bS,10R,11aR)-10-[4-(ジメチルアミノ)フェニル]-1-ヒドロキシ-11a-メチル-1-(プロパ-1-イン-1-イル)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1S,3aS,3bS,10R,11aR)-10-[4-(dimethylamino)phenyl]-1-hydroxy-11a-methyl-1-(prop-1-yn-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (2)：
  • ZK-98296
  • (13α)-11β-[4-(Dimethylamino)phenyl]-17β-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one
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