Chem
J-GLOBAL ID：200907015997064205   Nikkaji number：J83.663J

2α-Methylpregn-4-ene-3,20-dione

2α-メチルプレグナ-4-エン-3,20-ジオン
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： C22H32O2
Molecular formula furigana： C22-H32-O2
Molecular weight： 328.496
InChI： InChI=1S/C22H32O2/c1-13-12-22(4)15(11-20(13)24)5-6-16-18-8-7-17(14(2)23)21(18,3)10-9-19(16)22/h11,13,16-19H,5-10,12H2,1-4H3/t13-,16+,17-,18+,19+,21-,22+/m1/s1
InChI key： SGQKAJDGWMDIOH-YJIAGASKSA-N
SMILES： C[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(=O)C)[C@@H]3CCC2=CC1=O
Systematic name  (3)：
  • 2α-メチルプレグナ-4-エン-3,20-ジオン
  • (1S,3aS,3bS,8R,9aR,9bS,11aS)-1-アセチル-8,9a,11a-トリメチル-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
  • (1S,3aS,3bS,8R,9aR,9bS,11aS)-1-acetyl-8,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (1)：
  • 2α-Methylpregn-4-ene-3,20-dione
CAS registry number： 2636-91-1
Regulation number (1)：
  • TU5405000
KEGG COMPOUND： C15116
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