Chem
J-GLOBAL ID：200907068751386366   Nikkaji number：J101.999F

2-Methoxyestrone

2-メトキシエストロン
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： C19H24O3
Molecular formula furigana： C19-H24-O3
Molecular weight： 300.398
InChI： InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1
InChI key： WHEUWNKSCXYKBU-QPWUGHHJSA-N
SMILES： COc1cc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2cc1O
Systematic name  (7)：
  • 3-ヒドロキシ-2-メトキシエストラ-1,3,5(10)-トリエン-17-オン
  • 2-メトキシエストロン
  • 2-メトキシ-3-ヒドロキシエストラ-1(10),2,4-トリエン-17-オン
  • 2-メトキシ-3-ヒドロキシ-1(10),2,4-エストラトリエン-17-オン
  • 3-ヒドロキシ-2-メトキシエストラ-1(10),2,4-トリエン-17-オン
Show all
Other name (4)：
  • 2-Methoxyestrone
  • 2-Methoxy-3-hydroxyestra-1(10),2,4-triene-17-one
  • 2-Methoxy-3-hydroxy-1(10),2,4-estratriene-17-one
  • 3-Hydroxy-2-methoxyestra-1(10),2,4-triene-17-one
CAS registry number： 362-08-3
Regulation number (1)：
  • EINECS2066456
KEGG COMPOUND： C05299
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