Chem
J-GLOBAL ID：200907014644396305   Nikkaji number：J1.179.550A

20-Carboxymethylprednisolone

20-カルボキシメチルプレドニソロン
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： C21H28O4
Molecular formula furigana： C21-H28-O4
Molecular weight： 344.451
InChI： InChI=1S/C21H28O4/c1-11-8-13-14-4-5-15(19(24)25)21(14,3)10-17(23)18(13)20(2)7-6-12(22)9-16(11)20/h6-7,9,11,13-15,17-18,23H,4-5,8,10H2,1-3H3,(H,24,25)/t11-,13-,14-,15+,17-,18+,20-,21-/m0/s1
InChI key： GZBRKPUEHFORFL-RSORPYMOSA-N
SMILES： C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(=O)O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
Systematic name  (3)：
  • 6α-メチル-11β-ヒドロキシ-3-オキソアンドロスタ-1,4-ジエン-17β-カルボン酸
  • (1S,3aS,3bS,5S,9aR,9bS,10S,11aS)-10-ヒドロキシ-5,9a,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-カルボン酸
  • (1S,3aS,3bS,5S,9aR,9bS,10S,11aS)-10-hydroxy-5,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1-carboxylic acid
Other name (3)：
  • 6α-Methyl-11β-hydroxy-3-oxoandrosta-1,4-diene-17β-carboxylic acid
  • 20-カルボキシメチルプレドニソロン
  • 20-Carboxymethylprednisolone
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