Chem
J-GLOBAL ID：201007066507298127   Nikkaji number：J2.793.161H

4β,5β-Epoxypregnane-3,20-dione

4β,5β-エポキシプレグナン-3,20-ジオン
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： C21H30O3
Molecular formula furigana： C21-H30-O3
Molecular weight： 330.468
InChI： InChI=1S/C21H30O3/c1-12(22)14-4-5-15-13-6-11-21-18(24-21)17(23)8-10-20(21,3)16(13)7-9-19(14,15)2/h13-16,18H,4-11H2,1-3H3/t13-,14+,15-,16-,18-,19+,20+,21-/m0/s1
InChI key： AHUAGQAMTIBPDR-JFYOIKPISA-N
SMILES： CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@]45O[C@H]4C(=O)CC[C@]5(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 4β,5-エポキシ-5β-プレグナン-3,20-ジオン
  • (1S,2R,6R,8R,11S,12S,15S,16S)-15-アセチル-2,16-ジメチル-7-オキサペンタシクロ[9.7.0.02,8.06,8.012,16]オクタデカン-5-オン
  • (1S,2R,6R,8R,11S,12S,15S,16S)-15-acetyl-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one
Other name (3)：
  • 4β,5-Epoxy-5β-pregnane-3,20-dione
  • 4β,5β-Epoxypregnane-3,20-dione
  • 4β,5β-エポキシプレグナン-3,20-ジオン
KEGG COMPOUND： C15154
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