Chem
J-GLOBAL ID：201307026760602606   Nikkaji number：J3.177.830A

3,17β-Dihydroxy-17-methylestra-1,3,5(10)-triene-6-one

3,17β-ジヒドロキシ-17-メチルエストラ-1,3,5(10)-トリエン-6-オン
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： C19H24O3
Molecular formula furigana： C19-H24-O3
Molecular weight： 300.398
InChI： InChI=1S/C19H24O3/c1-18-7-5-13-12-4-3-11(20)9-15(12)17(21)10-14(13)16(18)6-8-19(18,2)22/h3-4,9,13-14,16,20,22H,5-8,10H2,1-2H3/t13-,14-,16+,18+,19+/m1/s1
InChI key： SLZRWVNXTZMZAC-AFTVQHQSSA-N
SMILES： C[C@]1(O)CC[C@H]2[C@@H]3CC(=O)c4cc(O)ccc4[C@H]3CC[C@]12C
Systematic name  (3)：
  • 3,17β-ジヒドロキシ-17-メチルエストラ-1,3,5(10)-トリエン-6-オン
  • (1S,3aS,3bR,9bS,11aS)-1,7-ジヒドロキシ-1,11a-ジメチル-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-5-オン
  • (1S,3aS,3bR,9bS,11aS)-1,7-dihydroxy-1,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
Other name (1)：
  • 3,17β-Dihydroxy-17-methylestra-1,3,5(10)-triene-6-one
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