Clostebol Acetate (1mg/ml in Acetonitrile)

Analyte Name

Clostebol acetate

CAS Number

855-19-6

Molecular Formula

C21 H29 Cl O3

Molecular Weight

364.91

Measured Value

1 mg/mL

Accurate Mass

364.1805

SMILES

CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI

InChI=1S/C21H29ClO3/c1-12(23)25-18-7-6-14-13-4-5-16-19(22)17(24)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-15,18H,4-11H2,1-3H3/t13-,14-,15-,18-,20+,21-/m0/s1

IUPAC

[(8R,9S,10R,13S,14S,17S)-4-chloro-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile