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Product Overview

Product Code

TRC-B683935-10MG

CAS Number

98149-13-4

Product Format

Neat

Molecular Formula

C20 H24 Br N O2

Molecular Weight

390.314

Product Categories

TRC

Product Information

Analyte Name

(4-Bromo-17-hydroxy-3-oxoestra-4,9-dien-17Alpha-yl)acetonitrile

CAS Number

98149-13-4

Molecular Formula

C20 H24 Br N O2

Molecular Weight

390.314

Accurate Mass

389.099

SMILES

C[C@]12CCC3=C4CCC(=O)C(=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N)Br

InChI

InChI=1S/C20H24BrNO2/c1-19-8-6-13-12-4-5-17(23)18(21)15(12)3-2-14(13)16(19)7-9-20(19,24)10-11-22/h14,16,24H,2-10H2,1H3/t14-,16+,19+,20-/m1/s1

IUPAC

2-[(8S,13S,14S,17R)-4-bromo-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile

Country of Origin

CANADA

Product Format

Neat

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