Chem
J-GLOBAL ID：201007057066574876   Nikkaji number：J2.793.117K

16β,17β-Dihydroxy-16-methylestr-4-en-3-one

16β,17β-ジヒドロキシ-16-メチルエストラ-4-エン-3-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： C19H28O3
Molecular formula furigana： C19-H28-O3
Molecular weight： 304.430
InChI： InChI=1S/C19H28O3/c1-18-8-7-14-13-6-4-12(20)9-11(13)3-5-15(14)16(18)10-19(2,22)17(18)21/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14+,15+,16-,17+,18-,19-/m0/s1
InChI key： BKSZWISEIVLVFV-LUMNHQOCSA-N
SMILES： C[C@]1(O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@H]1O
Systematic name  (3)：
  • 16β,17β-ジヒドロキシ-16-メチルエストラ-4-エン-3-オン
  • (1R,2S,3aS,3bR,9aR,9bS,11aS)-1,2-ジヒドロキシ-2,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1R,2S,3aS,3bR,9aR,9bS,11aS)-1,2-dihydroxy-2,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (2)：
  • 16β,17β-Dihydroxy-16-methylestra-4-ene-3-one
  • 16β,17β-Dihydroxy-16-methylestr-4-en-3-one
CAS registry number： 1911-14-4
KEGG COMPOUND： C15144
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