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CHEBI:79760 - 17β-hydroxy-2α-methylestr-4-en-3-one

ChEBI IDCHEBI:79760
ChEBI Name17β-hydroxy-2α-methylestr-4-en-3-one
Stars
ASCII Name17beta-hydroxy-2alpha-methylestr-4-en-3-one
DefinitionA 3-oxo Δ4-steroid that is estr-4-ene substituted by a β-hydroxy group at position 17 and an α-methyl group at position 2.
Last Modified3 March 2015
DownloadsMolfile
FormulaC19H28O2
Net Charge0
Average Mass288.431
Monoisotopic Mass288.20893
SMILES[H][C@@]12CCC3=CC(=O)[C@H](C)C[C@]3([H])[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C19H28O2/c1-11-9-15-12(10-17(11)20)3-4-14-13(15)7-8-19(2)16(14)5-6-18(19)21/h10-11,13-16,18,21H,3-9H2,1-2H3/t11-,13+,14-,15+,16+,18+,19+/m1/s1
InChIKeyKJERLNHLVKUCEM-VMBOHXENSA-N
ChEBI Ontology
Outgoing Relation(s)
17β-hydroxy-2α-methylestr-4-en-3-one (CHEBI:79760) has parent hydride estrane (CHEBI:23966)
17β-hydroxy-2α-methylestr-4-en-3-one (CHEBI:79760) is a 17β-hydroxy steroid (CHEBI:35343)
17β-hydroxy-2α-methylestr-4-en-3-one (CHEBI:79760) is a 3-oxo-Δ4 steroid (CHEBI:47909)
IUPAC Name 
17β-hydroxy-2α-methylestr-4-en-3-one
Synonym  Source
2alpha-Methyl-19-nortestosteroneKEGG COMPOUND
Manual XrefsDatabases
C15258KEGG COMPOUND
Registry NumbersSources
Reaxys:1993696Reaxys
CAS:1092-04-2ChemIDplus