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CHEBI:79835 - 3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate

ChEBI IDCHEBI:79835
ChEBI Name3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate
Stars
DownloadsMolfile
FormulaC23H32O4
Net Charge0
Average Mass372.505
Monoisotopic Mass372.23006
SMILES[H][C@]12CC[C@@]3([H])[C@]4([H])CC=C(C(C)=O)[C@@]4(C)CC(=O)[C@]3([H])[C@@]1(C)CC[C@@H](OC(C)=O)C2
InChIInChI=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
InChIKeyJAZBMNIJZWDVQJ-VEWLMHDZSA-N
ChEBI Ontology
Outgoing Relation(s)
3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate (CHEBI:79835) is a steroid ester (CHEBI:47880)
Manual XrefsDatabases
C15333KEGG COMPOUND
Registry NumbersSources
CAS:4970-39-2KEGG COMPOUND