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Product Overview

Product Code

TRC-E685102

CAS Number

350820-06-3

Product Format

Neat

Molecular Formula

C20 D4 H20 O2

Molecular Weight

300.43

API Family

Estradiol

Product Categories

TRC, Stable isotopes, Hormones & derivatives, Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials

Product Type

Impurity, Stable Isotope Labelled, API

Unlabelled CAS Number

57-63-6

Purity

>95% (HPLC)

Drug Type

Steroids / Hormones

Documentation

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Product Information

Chemical Data

Analyte Name

Ethynyl Estradiol-2,4,16,16-d4

CAS Number

350820-06-3

Molecular Formula

C20 D4 H20 O2

Molecular Weight

300.43

Accurate Mass

300.2027

SMILES

[2H]c1cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])[C@@]4(O)C#C)[C@@H]3CCc2c([2H])c1O

InChI

InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1/i5D,11D2,12D

IUPAC

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

Unlabelled CAS Number

57-63-6

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled

Product Format

Neat

API Family

Estradiol

Purity

>95% (HPLC)

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