Chem
J-GLOBAL ID：200907029730252828   Nikkaji number：J1.582.498K

6α-Methylpregna-4-ene-3,11,20-trione

6α-メチルプレグナ-4-エン-3,11,20-トリオン
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： C22H30O3
Molecular formula furigana： C22-H30-O3
Molecular weight： 342.479
InChI： InChI=1S/C22H30O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,20H,5-9,11H2,1-4H3/t12-,15-,16+,17-,20+,21-,22+/m0/s1
InChI key： NUSUWEUUEXDJDY-CMYFSFSVSA-N
SMILES： C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(=O)C)[C@@]3(C)CC(=O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
Systematic name  (3)：
  • 6α-メチルプレグナ-4-エン-3,11,20-トリオン
  • (1S,3aS,3bS,5S,9aR,9bS,11aS)-1-アセチル-5,9a,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-7,10-ジオン
  • (1S,3aS,3bS,5S,9aR,9bS,11aS)-1-acetyl-5,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione
Other name (1)：
  • 6α-Methylpregna-4-ene-3,11,20-trione
CAS registry number： 3642-85-1
KEGG COMPOUND： C14632
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