Identification Common Name Testosterone isocaproate Class Small Molecule Description Not Available Contaminant Sources ToxCast & Tox21 Chemicals Contaminant Type Not Available Chemical Structure Synonyms Value Source 17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate Kegg 17b-Hydroxyandrost-4-ene-3-one 4-methylvalerate Generator 17b-Hydroxyandrost-4-ene-3-one 4-methylvaleric acid Generator 17beta-Hydroxyandrost-4-ene-3-one 4-methylvaleric acid Generator 17Β-hydroxyandrost-4-ene-3-one 4-methylvalerate Generator 17Β-hydroxyandrost-4-ene-3-one 4-methylvaleric acid Generator (1S,2R,10R,11S,14S,15S)-2,15-Dimethyl-5-oxotetracyclo[8.7.0.0,.0,]heptadec-6-en-14-yl 4-methylpentanoic acid Generator [(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 4-methylpentanoic acid Generator Testosterone isocaproate MeSH Testosterone isocaproic acid Generator
Chemical Formula C25 H38 O3 Average Molecular Mass 386.576 g/mol Monoisotopic Mass 386.282 g/mol CAS Registry Number 15262-86-9 IUPAC Name (1S,3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl 4-methylpentanoate Traditional Name testosterone isocaproate SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCC(C)C InChI Identifier InChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1 InChI Key PPYHLSBUTAPNGT-BKWLFHPQSA-N 
