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Product Overview

Product Code

TRC-F862495

CAS Number

407577-53-1

EP Description

Fulvestrant EP Impurity A

Product Format

Neat

Molecular Formula

C32 H47 F5 O3 S

Molecular Weight

606.77

API Family

Fulvestrant

Product Categories

TRC, Impurity Reference Materials , API Reference Standards & Research Materials

Product Type

Impurity, API

Documentation

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Product Information

Chemical Data

Analyte Name

7Beta-Fulvestrant

CAS Number

407577-53-1

Molecular Formula

C32 H47 F5 O3 S

Molecular Weight

606.77

Accurate Mass

606.3166

SMILES

C[C@]12CC[C@H]3[C@@H]([C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc4cc(O)ccc34)[C@@H]1CC[C@@H]2O

InChI

InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26+,27-,28-,29+,30-,41?/m0/s1

IUPAC

(7S,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Fulvestrant

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7b-Fulvestrant

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