Chem
J-GLOBAL ID：200907055050551759   Nikkaji number：J11.381F

Pregnenolone

プレグネノロン
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： C21H32O2
Molecular formula furigana： C21-H32-O2
Molecular weight： 316.485
InChI： InChI=1S/C21H32O2/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/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
InChI key： ORNBQBCIOKFOEO-QGVNFLHTSA-N
SMILES： CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4)：
  • 20-オキソプレグナ-5-エン-3β-オール
  • 3β-ヒドロキシプレグナ-5-エン-20-オン
  • 1-[(1S,3aS,3bS,7S,9aR,9bS,11aS)-7-ヒドロキシ-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]エタン-1-オン
  • 1-[(1S,3aS,3bS,7S,9aR,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethan-1-one
Other name (10)：
  • プレノロン
  • プレグネノロン
  • Prenolon
  • Pregnenolone
  • 3β-Hydroxypregn-5-en-20-one
Show all
CAS registry number： 145-13-1
Regulation number (3)：
  • (9)-1038
  • TU5561000
  • EINECS2056474
KEGG DRUG： D00143
KEGG COMPOUND： C01953
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