Chem
J-GLOBAL ID：200907085345613906
Nikkaji number：J609.504F
2,4-Dichloro-17-ethynyl-17β-estradiol
2,4-ジクロロ-17-エチニル-17β-エストラジオール
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
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
Molecular formula： C20H22Cl2O2
Molecular formula furigana： C20-H22-CL2-O2
Molecular weight： 365.290
InChI：
InChI=1S/C20H22Cl2O2/c1-3-20(24)9-7-15-12-4-5-13-14(10-16(21)18(23)17(13)22)11(12)6-8-19(15,20)2/h1,10-12,15,23-24H,4-9H2,2H3/t11-,12+,15-,19-,20-/m0/s1
InChI key：
YSODZCGTJXMDFH-QEIBRJLASA-N
SMILES：
C[C@]12CC[C@H]3[C@@H](CCc4c(Cl)c(O)c(Cl)cc34)[C@@H]1CC[C@@]2(O)C#C
Systematic name (5)：
- 2,4-ジクロロ-17-エチニル-17β-エストラジオール
- (17R)-2,4-ジクロロ-19-ノルプレグナ-1,3,5(10)-トリエン-20-イン-3,17-ジオール
- 2,4-ジクロロ-17-エチニルエストラ-1,3,5(10)-トリエン-3,17β-ジオール
- (1R,3aS,3bR,9bS,11aS)-6,8-ジクロロ-1-エチニル-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-1,7-ジオール
- (1R,3aS,3bR,9bS,11aS)-6,8-dichloro-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
- 2,4-Dichloro-17-ethynyl-17β-estradiol
- (17R)-2,4-Dichloro-19-norpregna-1,3,5(10)-triene-20-yne-3,17-diol
- 2,4-Dichloro-17-ethynylestra-1,3,5(10)-triene-3,17β-diol
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