Chem
J-GLOBAL ID：200907010384206242   Nikkaji number：J6.307J

Cortol

コルトール
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： C21H36O5
Molecular formula furigana： C21-H36-O5
Molecular weight： 368.514
InChI： InChI=1S/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18-,19+,20+,21+/m1/s1
InChI key： FFPUNPBUZDTHJI-XPOJVAQCSA-N
SMILES： C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)[C@@H](O)CO
Systematic name  (3)：
  • (20S)-5β-プレグナン-3α,11β,17,20,21-ペンタオール
  • (1R,3aS,3bS,5aR,7R,9aS,9bS,10S,11aS)-1-[(1S)-1,2-ジヒドロキシエチル]-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-1,7,10-トリオール
  • (1R,3aS,3bS,5aR,7R,9aS,9bS,10S,11aS)-1-[(1S)-1,2-dihydroxyethyl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,7,10-triol
Other name (5)：
  • コルトール
  • Cortol
  • (20S)-5β-Pregnane-3α,11β,17,20,21-pentol
  • α-Cortol
  • α-コルトール
CAS registry number： 516-38-1
KEGG COMPOUND： C05482
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