Analyte Name

Abiraterone Acetate 5,6-Epoxide

CAS Number

1868064-50-9

Molecular Formula

C26 H33 N O3

Molecular Weight

407.545

Accurate Mass

407.246

SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4c5cccnc5)[C@@H]3C[C@@H]6O[C@]26C1

InChI

InChI=1S/C26H33NO3/c1-16(28)29-18-8-11-25(3)22-9-10-24(2)20(17-5-4-12-27-15-17)6-7-21(24)19(22)13-23-26(25,14-18)30-23/h4-6,12,15,18-19,21-23H,7-11,13-14H2,1-3H3/t18-,19-,21-,22-,23-,24+,25+,26-/m0/s1

IUPAC

[(1S,2R,5S,7R,9S,11S,12S,16S)-2,16-dimethyl-15-pyridin-3-yl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-14-en-5-yl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat