Analyte Name

Mestranol-2,4,16,16-D4

Molecular Formula

C21 D4 H22 O2

Molecular Weight

314.4546

Accurate Mass

314.2184

SMILES

[2H]c1cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])[C@@]4(O)C#C)[C@@H]3CCc2c([2H])c1OC

InChI

InChI=1S/C21H26O2/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/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1/i6D,12D2,13D

IUPAC

(8R,9S,13S,14S,17R)-2,4,16,16-tetradeuterio-17-ethynyl-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-ol

Unlabelled CAS Number

72-33-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat