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Product Overview

Product Code

TRC-E888201

CAS Number

1192354-74-7

Product Format

Neat

Molecular Formula

C25 D3 H25 O3

Molecular Weight

379.5065

API Family

Estradiol

Product Categories

TRC, Molecular biology reagents, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials

Product Type

Bioactive small molecule, Stable Isotope Labelled

Unlabelled CAS Number

50-50-0

Documentation

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Product Information

Chemical Data

Analyte Name

17b-Estradiol-16,16,17-d3 3-Benzoate

CAS Number

1192354-74-7

Molecular Formula

C25 D3 H25 O3

Molecular Weight

379.5065

Accurate Mass

379.2227

SMILES

[2H]C1([2H])C[C@H]2[C@@H]3CCc4cc(OC(=O)c5ccccc5)ccc4[C@H]3CC[C@]2(C)[C@@]1([2H])O

InChI

InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1/i12D2,23D

IUPAC

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

Unlabelled CAS Number

50-50-0

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Estradiol

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Product Overview

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Chemical Data

Product Data

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17Beta-Estradiol-16,16,17-d3 3-Benzoate

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