Chem
J-GLOBAL ID：200907003398663224   Nikkaji number：J712.017F

CH-003

(8ξ,13ξ,17ξ)-エストラジオール
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： C18H24O2
Molecular formula furigana： C18-H24-O2
Molecular weight： 272.388
InChI： InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15?,16+,17?,18?/m1/s1
InChI key： VOXZDWNPVJITMN-XXQSONRNSA-N
SMILES： CC12CC[C@H]3C(CCc4cc(O)ccc34)[C@@H]1CCC2O
Systematic name  (3)：
  • (8ξ,13ξ,17ξ)-エストラジオール
  • (3aS,9bS)-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-1,7-ジオール
  • (3aS,9bS)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (2)：
  • CH-003
  • (8ξ,13ξ,17ξ)-Estradiol
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