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Product Overview

Product Code

TRC-H915452

Product Format

Neat

Molecular Formula

C22H22D5ClO4

Molecular Weight

395.93

Product Categories

TRC, Stable isotopes

Unlabelled CAS Number

83881-08-7

Documentation

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Product Information

Analyte Name

17alpha-Hydroxy-21-chloro-9beta,11beta-epoxy-16alpha-methylpregna-1,4-diene-3,20-dione-d5

Molecular Formula

C22H22D5ClO4

Molecular Weight

395.93

Accurate Mass

395.19

SMILES

O=C1C=C[C@@]2(C)C(C([2H])([2H])C[C@]3([H])[C@@]2(O4)[C@@H]4C[C@@]5(C)[C@@]3([H])C[C@@H](C)[C@]5(O)C(C([2H])([2H])Cl)=O)=C1[2H]

InChI

InChI=1S/C22H27ClO4/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,26)17(25)11-23/h6-7,9,12,15-16,18,26H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19+,20+,21+,22-/m1/s1/i4D2,9D,11D2

IUPAC

(4aS,4bS,5aS,6aS,7R,8R,9aS,9bS)-7-(2-chloroacetyl-d2)-7-hydroxy-4a,6a,8-trimethyl-5a,6,6a,7,8,9,9a,9b,10,11-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-2(4aH)-one-1,11,11-d3

Unlabelled CAS Number

83881-08-7

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

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