Name: 3-Oleoylestrone-2,4,16,16-d4
Brand: CDN
SKU: CDN-D-6348-0.01G

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Product Overview

Product Code

CDN-D-6348-0.01G

CAS Number

443791-75-1

Product Format

Neat

Molecular Formula

C36 D4 H50 O3

Molecular Weight

538.8368

Product Categories

Stable isotopes, Steroids, hormones & derivatives

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

180003-17-2

Purity

98 atom % D, min 97% Chemical Purity

Documentation

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Product Information

Analyte Data

Analyte Name

Estrone-2,4,16,16-D4 3-Oleate

CAS Number

443791-75-1

Molecular Formula

C36 D4 H50 O3

Molecular Weight

538.8368

Accurate Mass

538.4324

SMILES

[2H]c1cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])C4=O)[C@@H]3CCc2c([2H])c1OC(=O)CCCCCCC\C=C/CCCCCCCC

InChI

InChI=1S/C36H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(38)39-29-20-22-30-28(27-29)19-21-32-31(30)25-26-36(2)33(32)23-24-34(36)37/h10-11,20,22,27,31-33H,3-9,12-19,21,23-26H2,1-2H3/b11-10-/t31-,32-,33+,36+/m1/s1/i20D,24D2,27D

IUPAC

[(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate

Unlabelled CAS Number

180003-17-2

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

98 atom % D, min 97% Chemical Purity

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