Chem
J-GLOBAL ID：200907022601355896   Nikkaji number：J109.817I

1-Methyl-6-dehydroestrone

1-メチル-6-デヒドロエストロン
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： C19H22O2
Molecular formula furigana： C19-H22-O2
Molecular weight： 282.383
InChI： InChI=1S/C19H22O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h3-4,9-10,14-16,20H,5-8H2,1-2H3/t14-,15+,16+,19+/m1/s1
InChI key： KRCRSBUGDLOMGX-DRMAHVMPSA-N
SMILES： Cc1cc(O)cc2C=C[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3c12
Systematic name  (3)：
  • 3-ヒドロキシ-1-メチルエストラ-1,3,5(10),6-テトラエン-17-オン
  • (3aS,3bR,9bS,11aS)-7-ヒドロキシ-9,11a-ジメチル-1H,2H,3H,3aH,3bH,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)-7-hydroxy-9,11a-dimethyl-1H,2H,3H,3aH,3bH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
Other name (4)：
  • 3-Hydroxy-1-methylestra-1,3,5(10),6-tetren-17-one
  • 3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one
  • 1-Methyl-6-dehydroestrone
  • 1-メチル-6-デヒドロエストロン
CAS registry number： 3129-08-6
KEGG COMPOUND： C15308
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