Testosterone Benzoate (1.0 mg/mL in Acetonitrile)

Analyte Name

Testosterone Benzoate

CAS Number

2088-71-3

Molecular Formula

C26 H32 O3

Molecular Weight

392.53

Measured Value

1.0 mg/mL

Accurate Mass

392.2351

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)c5ccccc5

InChI

InChI=1S/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3/t20-,21-,22-,23-,25-,26-/m0/s1

IUPAC

[(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] benzoate

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile