Chem
J-GLOBAL ID：200907069127814708   Nikkaji number：J318.189H

3-Methoxyestra-1,3,5(10),6-tetren-17-one

3-メトキシエストラ-1,3,5(10),6-テトラエン-17-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： C19H22O2
Molecular formula furigana： C19-H22-O2
Molecular weight： 282.383
InChI： InChI=1S/C19H22O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h3-6,11,15-17H,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1
InChI key： SIXKLAYWNMHDIQ-VXNCWWDNSA-N
SMILES： COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C=Cc2c1
Systematic name  (4)：
  • 3-メトキシエストラ-1,3,5(10),6-テトラエン-17-オン
  • 3-メトキシ-19-ノルアンドロスタ-1,3,5(10),6-テトラエン-17-オン
  • (3aS,3bR,9bS,11aS)-7-メトキシ-11a-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-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
Other name (2)：
  • 3-Methoxyestra-1,3,5(10),6-tetren-17-one
  • 3-Methoxy-19-norandrosta-1,3,5(10),6-tetrene-17-one
CAS registry number： 17253-36-0
Regulation number (1)：
  • EINECS2412874
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