Chem
J-GLOBAL ID：200907025550878286   Nikkaji number：J2.755.993J

3α,11β,21-Trihydroxy-20-oxo-5β-pregnane-18-al

3α,11β,21-トリヒドロキシ-20-オキソ-5β-プレグナン-18-アール
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： C21H32O5
Molecular formula furigana： C21-H32-O5
Molecular weight： 364.482
InChI： InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h11-17,19,22,24-25H,2-10H2,1H3/t12-,13-,14+,15+,16-,17+,19-,20+,21-/m1/s1
InChI key： YWTDWORQGPLRLL-RXKIGOLRSA-N
SMILES： C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O
Systematic name  (3)：
  • 3α,11β,21-トリヒドロキシ-20-オキソ-5β-プレグナン-18-アール
  • (1S,3aS,3bS,5aR,7R,9aS,9bS,10S,11aR)-7,10-ジヒドロキシ-1-(2-ヒドロキシアセチル)-9a-メチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-11a-カルバルデヒド
  • (1S,3aS,3bS,5aR,7R,9aS,9bS,10S,11aR)-7,10-dihydroxy-1-(2-hydroxyacetyl)-9a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-11a-carbaldehyde
Other name (2)：
  • 3α,11β,21-Trihydroxy-20-oxo-5β-pregnane-18-al
  • 3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al
KEGG COMPOUND： C05474
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