Chem
J-GLOBAL ID：201007000268983849   Nikkaji number：J2.791.495K

10-Acetoxyestra-1,4-diene-3-one

10-アセトキシエストラ-1,4-ジエン-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： C20H26O3
Molecular formula furigana： C20-H26-O3
Molecular weight： 314.425
InChI： InChI=1S/C20H26O3/c1-13(21)23-20-11-7-15(22)12-14(20)5-6-16-17-4-3-9-19(17,2)10-8-18(16)20/h7,11-12,16-18H,3-6,8-10H2,1-2H3/t16-,17-,18-,19-,20+/m0/s1
InChI key： GFPFWODQGPZXMQ-VYJAJWGXSA-N
SMILES： CC(=O)O[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CCC[C@@]3(C)CC[C@H]21
Systematic name  (3)：
  • 10-アセトキシエストラ-1,4-ジエン-3-オン
  • (3aS,3bS,9aS,9bS,11aS)-11a-メチル-7-オキソ-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-9a-イル アセタート
  • (3aS,3bS,9aS,9bS,11aS)-11a-methyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9a-yl acetate
Other name (2)：
  • 10-Acetoxyestra-1,4-diene-3-one
  • 10-Hydroxyestra-1,4-dien-3-one acetate
KEGG COMPOUND： C14999
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