Analyte Name

17alpha-Ethylestradiol 3-Methyl Ether-D5 (ethyl-D5)

Molecular Formula

C21 D5 H25 O2

Molecular Weight

319.4925

Accurate Mass

319.256

SMILES

[2H]C([2H])([2H])C([2H])([2H])[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]12C

InChI

InChI=1S/C21H30O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h6,8,13,17-19,22H,4-5,7,9-12H2,1-3H3/t17-,18-,19+,20+,21+/m1/s1/i1D3,4D2

IUPAC

(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-17-(1,1,2,2,2-pentadeuterioethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

Unlabelled CAS Number

17550-03-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat