Analyte Name

Cyproterone-13C2,d8

Molecular Formula

13C2 C20 D8 H19 Cl O3

Molecular Weight

384.936

Accurate Mass

384.222

SMILES

[2H]C1=C2C(=C[C@H]3[C@@H]4CC[C@](O)([13C](=O)[13C]([2H])([2H])[2H])[C@@]4(C)CC[C@@H]3[C@]2([C@H]5C[C@@]5([2H])C1=O)C([2H])([2H])[2H])Cl

InChI

InChI=1S/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13+,14-,15-,16-,20-,21-,22-/m0/s1/i1+1D3,3D3,10D,11+1,13D

IUPAC

(1S,2S,3S,5R,11R,12S,15R,16S)-9-chloro-5,7-dideuterio-15-hydroxy-16-methyl-15-(2,2,2-trideuterioacetyl)-2-(trideuteriomethyl)pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dien-6-one

Unlabelled CAS Number

2098-66-0

SIL Type

Deuterium, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat