Analyte Name

Abiraterone Tosylate

Molecular Formula

C31H37NO3S

Molecular Weight

503.7

Accurate Mass

503.25

SMILES

[H][C@@]12CC=C3C[C@@H](OS(C4=CC=C(C)C=C4)(=O)=O)CC[C@]3(C)[C@@]1([H])CC[C@@]5(C)[C@@]2([H])CC=C5C6=CC=CN=C6

InChI

InChI=1S/C31H37NO3S/c1-21-6-9-25(10-7-21)36(33,34)35-24-14-16-30(2)23(19-24)8-11-26-28-13-12-27(22-5-4-18-32-20-22)31(28,3)17-15-29(26)30/h4-10,12,18,20,24,26,28-29H,11,13-17,19H2,1-3H3/t24-,26-,28-,29-,30-,31+/m0/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat