Chem
J-GLOBAL ID：200907090023959479   Nikkaji number：J2.730.991G

5β-Pregnan-21-al

5β-プレグナン-21-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： C21H34O
Molecular formula furigana： C21-H34-O
Molecular weight： 302.502
InChI： InChI=1S/C21H34O/c1-20-12-4-3-5-15(20)6-8-17-18-9-7-16(11-14-22)21(18,2)13-10-19(17)20/h14-19H,3-13H2,1-2H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1
InChI key： UJWPMRYSXHLYMB-GCOKGBOCSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@]34C)[C@@H]1CC[C@@H]2CC=O
Systematic name  (3)：
  • 5β-プレグナン-21-アール
  • 2-[(1R,3aS,3bS,5aS,9aS,9bS,11aR)-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]アセトアルデヒド
  • 2-[(1R,3aS,3bS,5aS,9aS,9bS,11aR)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]acetaldehyde
Other name (2)：
  • 5β-Pregnane-21-al
  • 5β-Pregnan-21-al
KEGG COMPOUND： C00891
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