Chem
J-GLOBAL ID：200907064033997890   Nikkaji number：J6.795D

Prednylidene

プレドニリデン
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： C22H28O5
Molecular formula furigana： C22-H28-O5
Molecular weight： 372.461
InChI： InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,15-17,19,23,25,27H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17-,19+,20-,21-,22-/m0/s1
InChI key： WSVOMANDJDYYEY-CWNVBEKCSA-N
SMILES： C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC(=C)[C@]2(O)C(=O)CO
Systematic name  (3)：
  • 11β,17,21-トリヒドロキシ-16-メチレンプレグナ-1,4-ジエン-3,20-ジオン
  • (1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-ジヒドロキシ-1-(2-ヒドロキシアセチル)-9a,11a-ジメチル-2-メチリデン-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-7-オン
  • (1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-2-methylidene-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (5)：
  • プレドニリデン
  • 16-メチレンプレドニソロン
  • Prednylidene
  • 16-Methyleneprednisolone
  • 11β,17,21-Trihydroxy-16-methylenepregna-1,4-diene-3,20-dione
CAS registry number： 599-33-7
Regulation number (1)：
  • EINECS2099649
KEGG DRUG： D07230
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