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Product Overview

Product Code

TRC-A108550

CAS Number

186826-68-6

Product Format

Neat

Molecular Formula

C47 H61 N O4

Molecular Weight

703.991

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

(3Beta)-16-[(3Beta)-3-(Acetyloxy)androsta-5,16-dien-17-yl]-17-(pyridin-3-yl)androsta-5,16-dien-3-acetate

CAS Number

186826-68-6

Molecular Formula

C47 H61 N O4

Molecular Weight

703.991

Accurate Mass

703.46

SMILES

CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C5=C(c6cccnc6)[C@@]7(C)CC[C@H]8[C@@H](CC=C9C[C@H](CC[C@]89C)OC(=O)C)[C@@H]7C5)[C@@H]3CC=C2C1

InChI

InChI=1S/C47H61NO4/c1-28(49)51-33-15-19-44(3)31(24-33)9-11-35-38-13-14-39(46(38,5)21-17-40(35)44)37-26-42-36-12-10-32-25-34(52-29(2)50)16-20-45(32,4)41(36)18-22-47(42,6)43(37)30-8-7-23-48-27-30/h7-10,14,23,27,33-36,38,40-42H,11-13,15-22,24-26H2,1-6H3/t33-

IUPAC

[(3S,8R,9S,10R,13S,14S)-17-[(3S,8R,9S,10R,13S,14S)-3-acetyloxy-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-16-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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