Chem
J-GLOBAL ID：200907025279731070   Nikkaji number：J2.083.328I

(8α,9β,13R,14α)-3-Hydroxyestra-1,3,5(10)-triene-17-one

(8α,9β,13R,14α)-3-ヒドロキシエストラ-1,3,5(10)-トリエン-17-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： C18H22O2
Molecular formula furigana： C18-H22-O2
Molecular weight： 270.372
InChI： InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16-,18+/m0/s1
InChI key： DNXHEGUUPJUMQT-NBOOPKSLSA-N
SMILES： C[C@@]12CC[C@@H]3[C@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O
Systematic name  (3)：
  • (8α,9β,13R,14α)-3-ヒドロキシエストラ-1,3,5(10)-トリエン-17-オン
  • (3aS,3bS,9bR,11aR)-7-ヒドロキシ-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-オン
  • (3aS,3bS,9bR,11aR)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
Other name (1)：
  • (8α,9β,13R,14α)-3-Hydroxyestra-1,3,5(10)-triene-17-one
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