Chem
J-GLOBAL ID：200907067549089850   Nikkaji number：J225.462J

21-Acetoxy-16α,17-epoxypregn-4-ene-3,20-dione

21-アセトキシ-16α,17-エポキシプレグナ-4-エン-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： C23H30O5
Molecular formula furigana： C23-H30-O5
Molecular weight： 386.488
InChI： InChI=1S/C23H30O5/c1-13(24)27-12-19(26)23-20(28-23)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h10,16-18,20H,4-9,11-12H2,1-3H3/t16-,17+,18+,20-,21+,22+,23-/m1/s1
InChI key： QZHWBQCNOKNTPO-UIHBBMEUSA-N
SMILES： CC(=O)OCC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C
Systematic name  (3)：
  • 21-アセトキシ-16α,17-エポキシプレグナ-4-エン-3,20-ジオン
  • 2-[(1R,2S,4R,6S,7S,10S,11R)-7,11-ジメチル-14-オキソ-5-オキサペンタシクロ[8.8.0.02,7.04,6.011,16]オクタデカ-15-エン-6-イル]-2-オキソエチル アセタート
  • 2-[(1R,2S,4R,6S,7S,10S,11R)-7,11-dimethyl-14-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-6-yl]-2-oxoethyl acetate
Other name (1)：
  • 21-Acetoxy-16α,17-epoxypregn-4-ene-3,20-dione
CAS registry number： 21853-83-8
Regulation number (1)：
  • EINECS2446201
KEGG COMPOUND： C14651
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