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Product Overview

Product Code

TRC-K188740

CAS Number

571-92-6

USP Description

Estradiol USP Related Compound C

Product Format

Neat

Molecular Formula

C18 H22 O3

Molecular Weight

286.37

API Family

Estradiol

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

6-Ketoestradiol

CAS Number

571-92-6

Molecular Formula

C18 H22 O3

Molecular Weight

286.37

Accurate Mass

286.1569

SMILES

C[C@]12CC[C@H]3[C@@H](CC(=O)c4cc(O)ccc34)[C@@H]1CC[C@@H]2O

InChI

InChI=1S/C18H22O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15,17,19,21H,4-7,9H2,1H3/t12-,13-,15+,17+,18+/m1/s1

IUPAC

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

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Estradiol

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6-Keto 17b-Estradiol

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