Chem
J-GLOBAL ID：200907053073483146   Nikkaji number：J39.481E

Pregnanetriolone

プレグナントリオロン
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： 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/h12-16,18,22-23,25H,4-11H2,1-3H3/t12-,13+,14+,15-,16-,18+,19-,20-,21-/m0/s1
InChI key： WKFXHNDWEHDGQD-ZQRGSSBZSA-N
SMILES： C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Systematic name  (3)：
  • (20S)-3α,17,20-トリヒドロキシ-5β-プレグナン-11-オン
  • (1R,3aS,3bS,5aR,7R,9aS,9bS,11aS)-1,7-ジヒドロキシ-1-[(1S)-1-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-10-オン
  • (1R,3aS,3bS,5aR,7R,9aS,9bS,11aS)-1,7-dihydroxy-1-[(1S)-1-hydroxyethyl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-10-one
Other name (3)：
  • プレグナントリオロン
  • Pregnanetriolone
  • (20S)-3α,17,20-Trihydroxy-5β-pregnan-11-one
CAS registry number： 603-99-6
KEGG COMPOUND： C15368
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM