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CHEBI:79754 - 17β-hydroxy-4α-methyl-5α-androstan-3-one

ChEBI IDCHEBI:79754
ChEBI Name17β-hydroxy-4α-methyl-5α-androstan-3-one
Stars
ASCII Name17beta-hydroxy-4alpha-methyl-5alpha-androstan-3-one
DefinitionAn androstanoid that is 5α-androstane substituted by a methyl group at position 4, a hydroxy group at position 17 and an oxo group at position 3.
Last Modified29 July 2019
DownloadsMolfile
FormulaC20H32O2
Net Charge0
Average Mass304.474
Monoisotopic Mass304.24023
SMILES[H][C@@]12CC[C@@]3([H])[C@H](C)C(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C20H32O2/c1-12-14-5-4-13-15-6-7-18(22)20(15,3)10-8-16(13)19(14,2)11-9-17(12)21/h12-16,18,22H,4-11H2,1-3H3/t12-,13-,14-,15-,16-,18-,19-,20-/m0/s1
InChIKeyXHGXHTGXZKYMDE-VDBAHQDGSA-N
ChEBI Ontology
Outgoing Relation(s)
17β-hydroxy-4α-methyl-5α-androstan-3-one (CHEBI:79754) has parent hydride 5α-androstane (CHEBI:28859)
17β-hydroxy-4α-methyl-5α-androstan-3-one (CHEBI:79754) is a 17β-hydroxy steroid (CHEBI:35343)
17β-hydroxy-4α-methyl-5α-androstan-3-one (CHEBI:79754) is a 3-oxo-5α-steroid (CHEBI:13601)
17β-hydroxy-4α-methyl-5α-androstan-3-one (CHEBI:79754) is a 4α-methyl-3-oxosteroid (CHEBI:143570)
17β-hydroxy-4α-methyl-5α-androstan-3-one (CHEBI:79754) is a androstanoid (CHEBI:50402)
IUPAC Name 
(4α,5α)-17β-hydroxy-4-methylandrostan-3-one
Synonym  Source
4,5alpha-Dihydro-4alpha-methyltestosteroneKEGG COMPOUND
Manual XrefsDatabases
C15252KEGG COMPOUND
Registry NumbersSources
Reaxys:2535969Reaxys
CAS:10147-53-2ChemIDplus
Citations