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Product Overview

Product Code

CDN-D-5004

CAS Number

56588-58-0

Product Format

Neat

Molecular Formula

C18 2H2 H20 O2

Molecular Weight

272.38

Product Categories

Hormones & derivatives, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

53-16-7

Purity

98 atom % D, min 98% Chemical Purity

Documentation

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Product Information

Analyte Data

Analyte Name

Estrone-d2

CAS Number

56588-58-0

Molecular Formula

C18 2H2 H20 O2

Molecular Weight

272.38

Accurate Mass

272.1745

SMILES

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

InChI

InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i7D2

IUPAC

(8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one

Unlabelled CAS Number

53-16-7

SIL Type

Deuterium

Product Data

Storage Temperature

Room Temperature

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

98 atom % D, min 98% Chemical Purity

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Analyte Data

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