Chem
J-GLOBAL ID：200907017346772506   Nikkaji number：J607.966K

3,17β-Dihydroxy-1,3,5(10)-estratrien-11-one

3,17β-ジヒドロキシ-1,3,5(10)-エストラトリエン-11-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： C18H22O3
Molecular formula furigana： C18-H22-O3
Molecular weight： 286.371
InChI： InChI=1S/C18H22O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h3,5,8,13-14,16-17,19,21H,2,4,6-7,9H2,1H3/t13-,14-,16-,17+,18-/m0/s1
InChI key： NGTDIPICRMVXOC-XWJBARJFSA-N
SMILES： C[C@]12CC(=O)[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Systematic name  (4)：
  • 3,17β-ジヒドロキシエストラ-1,3,5(10)-トリエン-11-オン
  • 3,17β-ジヒドロキシ-1,3,5(10)-エストラトリエン-11-オン
  • (1S,3aS,3bS,9bS,11aS)-1,7-ジヒドロキシ-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-10-オン
  • (1S,3aS,3bS,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one
Other name (1)：
  • 3,17β-Dihydroxy-1,3,5(10)-estratrien-11-one
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