Analyte Name

Melengestrol-2,2,21,21,21-D5

Molecular Formula

C23 D5 H25 O3

Molecular Weight

359.5133

Accurate Mass

359.2509

SMILES

[2H]C([2H])([2H])C(=O)[C@@]1(O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)C([2H])([2H])C[C@]4(C)[C@H]3CC[C@]12C

InChI

InChI=1S/C23H30O3/c1-13-10-17-18(21(4)8-6-16(25)12-19(13)21)7-9-22(5)20(17)11-14(2)23(22,26)15(3)24/h10,12,17-18,20,26H,2,6-9,11H2,1,3-5H3/t17-,18+,20+,21-,22+,23+/m1/s1/i3D3,6D2

IUPAC

(8R,9S,10R,13S,14S,17R)-2,2-dideuterio-17-hydroxy-6,10,13-trimethyl-16-methylidene-17-(2,2,2-trideuterioacetyl)-8,9,11,12,14,15-hexahydro-1H-cyclopenta[a]phenanthren-3-one

Unlabelled CAS Number

5633-18-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat