Chem
J-GLOBAL ID:200907005867964772   Nikkaji number:J39.552H

9β-Estrone

9β-エストロン
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-DFGXFYAUSA-N
SMILES: C[C@]12CC[C@@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O
Systematic name  (3):
  • (9β)-3-ヒドロキシエストラ-1,3,5(10)-トリエン-17-オン
  • (3aS,3bR,9bR,11aS)-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,3bR,9bR,11aS)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
Other name (3):
  • 9β-エストロン
  • 9β-Estrone
  • (9β)-3-Hydroxyestra-1,3,5(10)-trien-17-one
CAS registry number: 1225-03-2
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