Chem
J-GLOBAL ID：200907046675071160   Nikkaji number：J6.310J

Cortolone

コルトロン
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： C21H34O5
Molecular formula furigana： C21-H34-O5
Molecular weight： 366.498
InChI： InChI=1S/C21H34O5/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/h12-15,17-18,22-23,25-26H,3-11H2,1-2H3/t12-,13-,14+,15+,17+,18-,19+,20+,21+/m1/s1
InChI key： JXCOSKURGJMQSG-AZQJGLEESA-N
SMILES： C[C@]12CC(=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)-3α,17,20,21-テトラヒドロキシ-5β-プレグナン-11-オン
  • (1R,3aS,3bS,5aR,7R,9aS,9bS,11aS)-1-[(1S)-1,2-ジヒドロキシエチル]-1,7-ジヒドロキシ-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-10-オン
  • (1R,3aS,3bS,5aR,7R,9aS,9bS,11aS)-1-[(1S)-1,2-dihydroxyethyl]-1,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-10-one
Other name (5)：
  • コルトロン
  • Cortolone
  • (20S)-3α,17,20,21-Tetrahydroxy-5β-pregnan-11-one
  • α-Cortolone
  • α-コルトロン
CAS registry number： 516-42-7
KEGG COMPOUND： C05481
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