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Product Overview

Product Code

TRC-E888009

CAS Number

3188-46-3

Product Format

Neat

Molecular Formula

C18 D2 H22 O2

Molecular Weight

274.3943

Product Categories

TRC, Hormones & derivatives, Stable isotopes, Vitamins

Product Type

Bioactive small molecule, Stable Isotope Labelled

Unlabelled CAS Number

50-28-2

Documentation

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Product Information

Chemical Data

Analyte Name

17beta-Estradiol-16,16-d2

CAS Number

3188-46-3

Molecular Formula

C18 D2 H22 O2

Molecular Weight

274.3943

Accurate Mass

274.1902

SMILES

[2H]C1([2H])C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O

InChI

InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1/i7D2

IUPAC

(8R,9S,13S,14S,17S)-16,16-dideuterio-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Unlabelled CAS Number

50-28-2

SIL Type

Deuterium

Product Data

Storage Temperature

+20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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