Analyte Name

7-Ketoabiraterone Acetate

Molecular Formula

C26H31NO3

Molecular Weight

405.53

Accurate Mass

405.2304

Smiles

CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4c5cccnc5)[C@@H]3C(=O)C=C2C1

InChI

InChI=1S/C26H31NO3/c1-16(28)30-19-8-10-25(2)18(13-19)14-23(29)24-21-7-6-20(17-5-4-12-27-15-17)26(21,3)11-9-22(24)25/h4-6,12,14-15,19,21-22,24H,7-11,13H2,1-3H3/t19-,21-,22-,24-,25-,26+/m0/s1

IUPAC

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

Storage Temperature

-20C Freezer

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family