Chem
J-GLOBAL ID：201007010737926830   Nikkaji number：J2.791.544B

2β,21-Dihydroxypregna-4-ene-3,20-dione

2β,21-ジ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： C21H30O4
Molecular formula furigana： C21-H30-O4
Molecular weight： 346.467
InChI： InChI=1S/C21H30O4/c1-20-8-7-15-13(14(20)5-6-16(20)19(25)11-22)4-3-12-9-17(23)18(24)10-21(12,15)2/h9,13-16,18,22,24H,3-8,10-11H2,1-2H3/t13-,14-,15-,16+,18-,20-,21-/m0/s1
InChI key： KYRHFGKXGJXOGD-FOXYBHETSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@@H](O)C[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Systematic name  (3)：
  • 2β,21-ジヒドロキシプレグナ-4-エン-3,20-ジオン
  • (1S,3aS,3bS,8S,9aR,9bS,11aS)-8-ヒドロキシ-1-(2-ヒドロキシアセチル)-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,3bS,8S,9aR,9bS,11aS)-8-hydroxy-1-(2-hydroxyacetyl)-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)：
  • 2β,21-Dihydroxypregna-4-ene-3,20-dione
  • 2beta,21-Dihydroxypregn-4-ene-3,20-dione
KEGG COMPOUND： C15015
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