Chem
J-GLOBAL ID：200907057744187259   Nikkaji number：J4.884D

Pregnanediol

プレグナンジオール
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： C21H36O2
Molecular formula furigana： C21-H36-O2
Molecular weight： 320.517
InChI： InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,20-,21+/m0/s1
InChI key： YWYQTGBBEZQBGO-BERLURQNSA-N
SMILES： C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (5)：
  • 5β-プレグナン-3α,20β-ジオール
  • (20S)-3α,20-ジヒドロキシ-5β-プレグナン
  • (20S)-5β-プレグナン-3α,20-ジオール
  • (1S,3aS,3bR,5aR,7R,9aS,9bS,11aS)-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-7-オール
  • (1S,3aS,3bR,5aR,7R,9aS,9bS,11aS)-1-[(1S)-1-hydroxyethyl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-ol
Other name (9)：
  • (20S)-5β-Pregnan-3α,20-diol
  • ジオール
  • Diol
  • (20S)-3α,20-Dihydroxy-5β-pregnane
  • (20S)-5β-Pregnane-3α,20-diol
Show all
CAS registry number： 80-92-2
Regulation number (3)：
  • TU4157100
  • (9)-2155
  • EINECS2013137
KEGG DRUG： D00189
KEGG COMPOUND： C05484
Application (2)：
steroid hormone ,  dermatologic preparation
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM