Chem
J-GLOBAL ID:200907008561854948
Nikkaji number:J2.292.550D
NSC-60462
16-ケトエストロン
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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:
C18 H20 O3
Molecular formula furigana:
C18-H20-O3
Molecular weight:
284.355
InChI:
InChI=1S/C18H20O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3/t13-,14-,15+,18+/m1/s1
InChI key:
ANPHVANSJXDRTP-BSXFFOKHSA-N
SMILES:
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC(=O)C2=O
Systematic name (4):
16-ケトエストロン
3-ヒドロキシエストラ-1,3,5(10)-トリエン-16,17-ジオン
(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-1,2-ジオン
(3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,2-dione
Other name (3):
16-Ketoestrone
3-Hydroxyestra-1,3,5(10)-triene-16,17-dione
NSC-60462
CAS registry number:
1228-73-5
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