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Chem
J-GLOBAL ID：200907086460418480
Nikkaji number：J260.861H Estra-1,3,5(10)-triene-3,17β-diol 17-butanoate
エストラ-1,3,5(10)-トリエン-3,17β-ジオール17-ブタノアート
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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： C22H30O3
Molecular formula furigana： C22-H30-O3
Molecular weight： 342.479
InChI：
InChI=1S/C22H30O3/c1-3-4-21(24)25-20-10-9-19-18-7-5-14-13-15(23)6-8-16(14)17(18)11-12-22(19,20)2/h6,8,13,17-20,23H,3-5,7,9-12H2,1-2H3/t17-,18-,19+,20+,22+/m1/s1
InChI key：
XRKFWLKYSYKIKT-KOVVAJLHSA-N
SMILES：
CCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
Systematic name (3)： - エストラ-1,3,5(10)-トリエン-3,17β-ジオール17-ブタノアート
- (1S,3aS,3bR,9bS,11aS)-7-ヒドロキシ-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 ブタノアート
- (1S,3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl butanoate
- Estra-1,3,5(10)-triene-3,17β-diol 17-butanoate
Regulation number (1)：
- EINECS2419775
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