Chem
J-GLOBAL ID：201007008129394708   Nikkaji number：J2.790.785G

17β-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate

17β-(アセチルチオ)エストラ-1,3,5(10)-トリエン-3-オールアセタート
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： C22H28O3S
Molecular formula furigana： C22-H28-O3-S
Molecular weight： 372.520
InChI： InChI=1S/C22H28O3S/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1
InChI key： RVOGPLZAOZWWPL-AANPDWTMSA-N
SMILES： CC(=O)Oc1ccc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2c1)SC(=O)C
Systematic name  (3)：
  • 17β-(アセチルチオ)エストラ-1,3,5(10)-トリエン-3-オールアセタート
  • (1S,3aS,3bR,9bS,11aS)-1-(アセチルスルファニル)-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-7-イル アセタート
  • (1S,3aS,3bR,9bS,11aS)-1-(acetylsulfanyl)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate
Other name (2)：
  • 17β-(Acetylthio)estra-1,3,5(10)-triene-3-ol acetate
  • 17β-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
KEGG COMPOUND： C14955
Thsaurus map：
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