Chem
J-GLOBAL ID：201007034787192052   Nikkaji number：J2.790.722I

12α-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione

12α-(クロロメチル)-12-ヒドロキシプレグナ-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： C22H31ClO3
Molecular formula furigana： C22-H31-CL-O3
Molecular weight： 378.940
InChI： InChI=1S/C22H31ClO3/c1-13(24)17-6-7-18-16-5-4-14-10-15(25)8-9-20(14,2)19(16)11-22(26,12-23)21(17,18)3/h10,16-19,26H,4-9,11-12H2,1-3H3/t16-,17+,18-,19-,20-,21+,22-/m0/s1
InChI key： LSUMZADQUYYJTQ-VUIPWDCGSA-N
SMILES： CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@](O)(CCl)[C@]12C
Systematic name  (3)：
  • 12α-(クロロメチル)-12-ヒドロキシプレグナ-4-エン-3,20-ジオン
  • (1S,3aS,3bR,9aR,9bS,11R,11aS)-1-アセチル-11-(クロロメチル)-11-ヒドロキシ-9a,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
  • (1S,3aS,3bR,9aR,9bS,11R,11aS)-1-acetyl-11-(chloromethyl)-11-hydroxy-9a,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)：
  • 12α-(Chloromethyl)-12-hydroxypregna-4-ene-3,20-dione
  • 12α-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione
KEGG COMPOUND： C14923
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