Chem
J-GLOBAL ID：200907069387022546   Nikkaji number：J203.211B

3α-(Acetyloxy)-5β-pregn-16-ene-11,20-dione

3α-(アセチルオキシ)-5β-プレグナ-16-エン-11,20-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： C23H32O4
Molecular formula furigana： C23-H32-O4
Molecular weight： 372.505
InChI： InChI=1S/C23H32O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)21(17)20(26)12-23(18,19)4/h7,15-17,19,21H,5-6,8-12H2,1-4H3/t15-,16-,17+,19+,21-,22+,23-/m1/s1
InChI key： JAZBMNIJZWDVQJ-VEWLMHDZSA-N
SMILES： CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC=C(C(=O)C)[C@@]4(C)CC(=O)[C@H]23)C1
Systematic name  (3)：
  • 3α-(アセチルオキシ)-5β-プレグナ-16-エン-11,20-ジオン
  • (3aS,3bS,5aR,7R,9aS,9bS,11aS)-1-アセチル-9a,11a-ジメチル-10-オキソ-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル アセタート
  • (3aS,3bS,5aR,7R,9aS,9bS,11aS)-1-acetyl-9a,11a-dimethyl-10-oxo-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate
Other name (1)：
  • 3α-(Acetyloxy)-5β-pregn-16-ene-11,20-dione
CAS registry number： 4970-39-2
Regulation number (1)：
  • EINECS2256111
KEGG COMPOUND： C15333
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