Chem
J-GLOBAL ID：200907075615320307   Nikkaji number：J846.207K

3α,11β,17α-Trihydroxy-5β-pregnan-20-one

3α,11β,17α-トリヒドロキシ-5β-プレグナン-20-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： C21H34O4
Molecular formula furigana： C21-H34-O4
Molecular weight： 350.499
InChI： InChI=1S/C21H34O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-18,23-25H,4-11H2,1-3H3/t13-,14-,15+,16+,17+,18-,19+,20+,21+/m1/s1
InChI key： VHYUGQIWISVBRT-SUTVCERISA-N
SMILES： CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Systematic name  (3)：
  • 3α,11β,17α-トリヒドロキシ-5β-プレグナン-20-オン
  • 1-[(1R,3aS,3bS,5aR,7R,9aS,9bS,10S,11aS)-1,7,10-トリヒドロキシ-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]エタン-1-オン
  • 1-[(1R,3aS,3bS,5aR,7R,9aS,9bS,10S,11aS)-1,7,10-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethan-1-one
Other name (1)：
  • 3α,11β,17α-Trihydroxy-5β-pregnan-20-one
KEGG COMPOUND： C15403
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