Analyte Name

5,6-Dihydroabiraterone Acetate

CAS Number

219843-76-2

Molecular Formula

C26 H35 N O2

Molecular Weight

393.562

Accurate Mass

393.267

SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC=C4c5cccnc5)C1

InChI

InChI=1S/C26H35NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-5,8,14,16,19-21,23-24H,6-7,9-13,15H2,1-3H3/t19-,20-,21-,23-,24-,25-,26+/m0/s1

IUPAC

[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat