Analyte Name

Chlorobutoxy Abiraterone-d8

Molecular Formula

C28 D8 H30 Cl N O

Molecular Weight

448.11

Accurate Mass

447.314

SMILES

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

InChI

InChI=1S/C28H38ClNO/c1-27-13-11-22(31-17-4-3-15-29)18-21(27)7-8-23-25-10-9-24(20-6-5-16-30-19-20)28(25,2)14-12-26(23)27/h5-7,9,16,19,22-23,25-26H,3-4,8,10-15,17-18H2,1-2H3/t22-,23-,25-,26-,27-,28+/m0/s1/i3D2,4D2,15D2,17D2

IUPAC

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

Unlabelled CAS Number

154229-18-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat