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Product Overview

Product Code

TRC-C999283

CAS Number

16669-06-0

Product Format

Neat

Molecular Formula

C20 H25 N O2

Molecular Weight

311.418

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

[3,17-Dihydroxyestra-1,3,5(10)-trien-17Alpha-yl]acetonitrile

CAS Number

16669-06-0

Molecular Formula

C20 H25 N O2

Molecular Weight

311.418

Accurate Mass

311.189

SMILES

C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)CC#N

InChI

InChI=1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h3,5,12,16-18,22-23H,2,4,6-10H2,1H3/t16-,17-,18+,19+,20-/m1/s1

IUPAC

2-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetonitrile

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Product Overview

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Chemical Data

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17alpha-​Cyanomethylestra-​1,​3,​5(10)​-​triene-​3,​17beta-​diol

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