Chem
J-GLOBAL ID：200907029321415723   Nikkaji number：J8.696G

SH 818

酢酸クロコルトロン
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： C24H30ClFO5
Molecular formula furigana： C24-H30-CL-F-O5
Molecular weight： 452.950
InChI： InChI=1S/C24H30ClFO5/c1-12-7-15-16-9-18(26)17-8-14(28)5-6-23(17,4)24(16,25)20(30)10-22(15,3)21(12)19(29)11-31-13(2)27/h5-6,8,12,15-16,18,20-21,30H,7,9-11H2,1-4H3/t12-,15+,16+,18+,20+,21-,22+,23+,24+/m1/s1
InChI key： ARPLCFGLEYFDCN-CDACMRRYSA-N
SMILES： C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C
Systematic name  (3)：
  • 9-クロロ-6α-フルオロ-11β-ヒドロキシ-21-アセトキシ-16α-メチルプレグナ-1,4-ジエン-3,20-ジオン
  • 2-[(1S,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-9b-クロロ-5-フルオロ-10-ヒドロキシ-2,9a,11a-トリメチル-7-オキソ-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-2-オキソエチル アセタート
  • 2-[(1S,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-9b-chloro-5-fluoro-10-hydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate
Other name (4)：
  • 酢酸クロコルトロン
  • SH 818
  • Clocortolone acetate
  • 9-Chloro-6α-fluoro-11β-hydroxy-21-acetoxy-16α-methylpregna-1,4-diene-3,20-dione
CAS registry number： 4258-85-9
KEGG DRUG： D03541
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