Chem
J-GLOBAL ID:200907074766393652   Nikkaji number:J117.045G

(9β)-17β-Hydroxyestr-4-en-3-one

(9β)-17β-ヒドロキシエストラ-4-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: C18H26O2
Molecular formula furigana: C18-H26-O2
Molecular weight: 274.404
InChI: InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14-,15+,16-,17-,18-/m0/s1
InChI key: NPAGDVCDWIYMMC-PCCRXHMLSA-N
SMILES: C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
Systematic name  (3):
  • (9β)-17β-ヒドロキシエストラ-4-エン-3-オン
  • (1S,3aS,3bR,9aR,9bR,11aS)-1-ヒドロキシ-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1S,3aS,3bR,9aR,9bR,11aS)-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (1):
  • (9β)-17β-Hydroxyestr-4-en-3-one
CAS registry number: 4374-03-2
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