Dexamethasone-4,6alpha,21,21-d4

Analyte Name

Dexamethasone-4,6alpha,21,21-D4

CAS Number

2483831-63-4

Molecular Formula

C22 D4 H25 F O5

Molecular Weight

396.4857

Accurate Mass

396.225

SMILES

[2H][C@H]1C[C@H]2[C@@H]3C[C@@H](C)[C@](O)(C(=O)C([2H])([2H])O)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]4(C)C=CC(=O)C(=C14)[2H]

InChI

InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1/i4D,9D,11D2/t4-,12+,15-,16-,17-,19-,20-,21-,22-/m0

IUPAC

(6S,8S,9R,10S,11S,13S,14S,16R,17R)-4,6-dideuterio-17-(2,2-dideuterio-2-hydroxyacetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

Unlabelled CAS Number

50-02-2

SIL Type

Deuterium

Storage Temperature

Room Temperature

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

97 atom % D (also 6.5% deuterated at position C-2), min 98% Chemical Purity