Chem
J-GLOBAL ID：200907043806499286
Nikkaji number：J2.028.744F
4-Chloro-17-ethynylestra-1,3,5(10)-triene-3,17β-diol
4-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
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： C20H23ClO2
Molecular formula furigana： C20-H23-CL-O2
Molecular weight： 330.850
InChI：
InChI=1S/C20H23ClO2/c1-3-20(23)11-9-16-14-4-5-15-12(6-7-17(22)18(15)21)13(14)8-10-19(16,20)2/h1,6-7,13-14,16,22-23H,4-5,8-11H2,2H3/t13-,14-,16+,19+,20+/m1/s1
InChI key：
OOIVVMYMQFWSGZ-RXUQYVRZSA-N
SMILES：
C[C@]12CC[C@H]3[C@@H](CCc4c(Cl)c(O)ccc34)[C@@H]1CC[C@@]2(O)C#C
Systematic name (4)：
- (17R)-4-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
- 4-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-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-chloro-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
- (17R)-4-Chloro-19-norpregna-1,3,5(10)-triene-20-yne-3,17-diol
- 4-Chloro-17-ethynylestra-1,3,5(10)-triene-3,17β-diol
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