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Product Overview

Product Code

TRC-E686500

CAS Number

4717-40-2

Product Format

Neat

Molecular Formula

C20 H24 O3

Molecular Weight

312.40

Product Categories

TRC

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

17-Ethynylestriol

CAS Number

4717-40-2

Molecular Formula

C20 H24 O3

Molecular Weight

312.40

Accurate Mass

312.1725

SMILES

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

InChI

InChI=1S/C20H24O3/c1-3-20(23)18(22)11-17-16-6-4-12-10-13(21)5-7-14(12)15(16)8-9-19(17,20)2/h1,5,7,10,15-18,21-23H,4,6,8-9,11H2,2H3/t15-,16-,17+,18-,19+,20+/m1/s1

IUPAC

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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