trans-Diethyl-1,1,1’,1’-stilbestrol-3,3’,5,5’-d8

Analyte Name

trans-Diethyl-1,1,1',1'-stilbestrol-3,3',5,5'-d8

CAS Number

91318-10-4

Molecular Formula

C18 2H8 H12 O2

Molecular Weight

276.40

Accurate Mass

276.1965

SMILES

[2H]c1cc(cc([2H])c1O)\C(=C(\c2cc([2H])c(O)c([2H])c2)/C([2H])([2H])C)\C([2H])([2H])C

InChI

InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+/i3D2,4D2,9D,10D,11D,12D

IUPAC

2,6-dideuterio-4-[(E)-2,2,5,5-tetradeuterio-4-(3,5-dideuterio-4-hydroxyphenyl)hex-3-en-3-yl]phenol

Unlabelled CAS Number

56-53-1

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Diethylstilbestrol

Purity

>95% (HPLC)