Analyte Name

Hydroxyprogesterone Caproate-2,2,4,6,6,21,21,21-D8

Molecular Formula

C27 D8 H32 O4

Molecular Weight

436.6534

Accurate Mass

436.3429

SMILES

[2H]C1=C2C([2H])([2H])C[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@]4(OC(=O)CCCCC)C(=O)C([2H])([2H])[2H])[C@@]2(C)CC([2H])([2H])C1=O

InChI

InChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1/i2D3,9D2,11D2,17D

IUPAC

[(8R,9S,10R,13S,14S,17R)-2,2,4,6,6-pentadeuterio-10,13-dimethyl-3-oxo-17-(2,2,2-trideuterioacetyl)-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] hexanoate

Unlabelled CAS Number

630-56-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat