Chem
J-GLOBAL ID：200907011281693869   Nikkaji number：J1.175.745F

3-Methoxy-17β-(chloromethylsulfonyloxy)estra-1,3,5(10)-triene

3-メトキシ-17β-(クロロメチルスルホニルオキシ)エストラ-1,3,5(10)-トリエン
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： C20H27ClO4S
Molecular formula furigana： C20-H27-CL-O4-S
Molecular weight： 398.940
InChI： InChI=1S/C20H27ClO4S/c1-20-10-9-16-15-6-4-14(24-2)11-13(15)3-5-17(16)18(20)7-8-19(20)25-26(22,23)12-21/h4,6,11,16-19H,3,5,7-10,12H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
InChI key： UGSQQMULUIGACR-SLHNCBLASA-N
SMILES： COc1ccc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2c1)OS(=O)(=O)CCl
Systematic name  (3)：
  • 3-メトキシ-17β-(クロロメチルスルホニルオキシ)エストラ-1,3,5(10)-トリエン
  • (1S,3aS,3bR,9bS,11aS)-7-メトキシ-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-1-イル クロロメタンスルホナート
  • (1S,3aS,3bR,9bS,11aS)-7-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl chloromethanesulfonate
Other name (1)：
  • 3-Methoxy-17β-(chloromethylsulfonyloxy)estra-1,3,5(10)-triene
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