Analyte Name

Diethyl 2-Acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl]malonate

CAS Number

268557-49-9

Molecular Formula

C23 H36 O3

Molecular Weight

360.53

Accurate Mass

360.266

SMILES

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

InChI

InChI=1S/C23H36O3/c1-5-21(25)26-20-9-8-17-16-7-6-15-12-19(24)14(2)13-23(15,4)18(16)10-11-22(17,20)3/h14-18,20H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,20-,22-,23-/m0/s1

IUPAC

[(2S,5R,8R,9R,10S,13S,14R,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] propanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat