SAFS | forendex | Testosterone dichloroacetate

Names:	Testosterone dichloroacetate (primary) 2,2-Dichloroacetic acid [(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] ester (IUPAC CAS-like) 2,2-Dichloroacetic acid [(8R,9S,10R,13S,14S,17S)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester (IUPAC traditional) [(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] 2,2-dichloroacetate (IUPAC allowed; IUPAC preferred) [(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] 2,2-dichloroethanoate (IUPAC systematic) (17β)-3-Oxoandrost-4-en-17-yl dichloroacetate (IUPAC ACD/Name)
Molecular formula:	C21H28Cl2O3
Nominal mass:	398
Average mass:	399.3512
Monoisotopic mass:	398.141550
CAS registry number:	7768-48-1
ChemSpider:	21587204
PubChem:	44585607
Wikipedia:	Testosterone
Erowid:	Steroids
Standard InChI:	InChI=1S/C21H28Cl2O3/c1-20-9-7-13(24)11-12(20)3-4-14-15-5-6-17(26-19(25)18(22)23)21(15,2)10-8-16(14)20/h11,14-18H,3-10H2,1-2H3/t14-,15-,16-,17-,20-,21-/m0/s1
Standard InChIKey:	JPTSHJNSSYTFFZ-KZVLABISSA-N
SMILES:	C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]3CC[C@H]([C@]3(C)CC[C@H]21)OC(=O)C(Cl)Cl
Tags:	steroid ester

Property	Value	Remarks
Property	Value	Remarks

Location	Type	Remarks
TESTOSTERONE DICHLOROACETATE MS.bmp	EI MS	Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
TESTOSTERONE DICHLOROACETATE IRD.bmp	GC IRD	Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.