Analyte Name

Abiraterone Isopropyl Ether-d7

Molecular Formula

C27H30D7NO

Molecular Weight

398.63

Accurate Mass

398.33

SMILES

[H][C@@]12CC=C3C[C@@H](OC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])CC[C@]3(C)[C@@]1([H])CC[C@@]4(C)[C@@]2([H])CC=C4C5=CC=CN=C5

InChI

InChI=1S/C27H37NO/c1-18(2)29-21-11-13-26(3)20(16-21)7-8-22-24-10-9-23(19-6-5-15-28-17-19)27(24,4)14-12-25(22)26/h5-7,9,15,17-18,21-22,24-25H,8,10-14,16H2,1-4H3/t21-,22-,24-,25-,26?,27?/m0/s1/i1D3,2D3,18D

IUPAC

3-((3S,8R,9S,10R,13S,14S)-10,13-dimethyl-3-((propan-2-yl-d7)oxy)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine

Unlabelled CAS Number

2484719-15-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat