Chem
J-GLOBAL ID：200907016241329112   Nikkaji number：J8.019E

38000

クロメテロン
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： C22H31ClO2
Molecular formula furigana： C22-H31-CL-O2
Molecular weight： 362.940
InChI： InChI=1S/C22H31ClO2/c1-12-9-17-15-11-19(23)18-10-14(25)5-7-21(18,3)16(15)6-8-22(17,4)20(12)13(2)24/h10,12,15-17,19-20H,5-9,11H2,1-4H3/t12-,15-,16+,17+,19+,20-,21-,22+/m1/s1
InChI key： UMRURYMAPMZKQO-NDKKBYRMSA-N
SMILES： C[C@@H]1C[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(=O)C
Systematic name  (3)：
  • 6α-クロロ-16α-メチルプレグナ-4-エン-3,20-ジオン
  • (1S,2R,3aS,3bS,5S,9aR,9bS,11aS)-1-アセチル-5-クロロ-2,9a,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,2R,3aS,3bS,5S,9aR,9bS,11aS)-1-acetyl-5-chloro-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (4)：
  • クロメテロン
  • 38000
  • Clometherone
  • 6α-Chloro-16α-methylpregn-4-ene-3,20-dione
CAS registry number： 5591-27-5
KEGG DRUG： D03551
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