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CHEBI:79444 - 17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one

ChEBI IDCHEBI:79444
ChEBI Name17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one
Stars
Last Modified26 April 2017
DownloadsMolfile
FormulaC22H36O3
Net Charge0
Average Mass348.527
Monoisotopic Mass348.26645
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4(C)O)[C@@]1(C)C[C@@H](COC)C(=O)C2
InChIInChI=1S/C22H36O3/c1-20-12-14(13-25-4)19(23)11-15(20)5-6-16-17(20)7-9-21(2)18(16)8-10-22(21,3)24/h14-18,24H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,20-,21-,22-/m0/s1
InChIKeyWACMAERIMWMBMZ-BOQKZASQSA-N
ChEBI Ontology
Outgoing Relation(s)
17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one (CHEBI:79444) is a 3-oxo-5α-steroid (CHEBI:13601)
Manual XrefsDatabases
C14919KEGG COMPOUND