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CHEBI:79767 - 16β-methylpregn-4-ene-3,20-dione

ChEBI IDCHEBI:79767
ChEBI Name16β-methylpregn-4-ene-3,20-dione
Stars
ASCII Name16beta-methylpregn-4-ene-3,20-dione
DefinitionA 3-oxo Δ4-steroid that is progesterone substituted by a β-methyl group at position 16.
Last Modified3 March 2015
DownloadsMolfile
FormulaC22H32O2
Net Charge0
Average Mass328.496
Monoisotopic Mass328.24023
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(C)=O)[C@@H](C)C[C@@]21[H]
InChIInChI=1S/C22H32O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h12-13,17-20H,5-11H2,1-4H3/t13-,17+,18-,19-,20+,21-,22-/m0/s1
InChIKeyJYYRDDFNMDZIIP-HQJDTPGISA-N
ChEBI Ontology
Outgoing Relation(s)
16β-methylpregn-4-ene-3,20-dione (CHEBI:79767) has functional parent progesterone (CHEBI:17026)
16β-methylpregn-4-ene-3,20-dione (CHEBI:79767) has parent hydride pregnane (CHEBI:8386)
16β-methylpregn-4-ene-3,20-dione (CHEBI:79767) is a 20-oxo steroid (CHEBI:36885)
16β-methylpregn-4-ene-3,20-dione (CHEBI:79767) is a 3-oxo-Δ4 steroid (CHEBI:47909)
IUPAC Name 
16β-methylpregn-4-ene-3,20-dione
Synonym  Source
16beta-MethylprogesteroneKEGG COMPOUND
Manual XrefsDatabases
C15265KEGG COMPOUND
Registry NumbersSources
Reaxys:3121535Reaxys
CAS:1424-09-5ChemIDplus
Citations