Chem
J-GLOBAL ID:200907051785065003   Nikkaji number:J1.989.145C

2-Chloroestrone

2-クロロエストロン
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: C18H21ClO2
Molecular formula furigana: C18-H21-CL-O2
Molecular weight: 304.810
InChI: InChI=1S/C18H21ClO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h8-9,11-12,14,20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1
InChI key: CESQEGKZVXLYKV-JPVZDGGYSA-N
SMILES: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(Cl)cc34)[C@@H]1CCC2=O
Systematic name  (4):
  • 2-クロロエストロン
  • 2-クロロ-3-ヒドロキシ-1,3,5(10)-エストラトリエン-17-オン
  • (3aS,3bR,9bS,11aS)-8-クロロ-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,9bS,11aS)-8-chloro-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
Other name (2):
  • 2-Chloroestrone
  • 2-Chloro-3-hydroxy-1,3,5(10)-estratriene-17-one
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