21-Deacetoxy Deflazacort-d3 (Major)

Analyte Name

21-Deacetoxy Deflazacort-d3 (Major)

Molecular Formula

C23 D3 H26 N O4

Molecular Weight

386.499

Accurate Mass

386.228

SMILES

[2H]C1([2H])[C@]([2H])(O)[C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@@H]4C[C@H]5OC(=N[C@@]5(C(=O)C)[C@@]14C)C

InChI

InChI=1S/C23H29NO4/c1-12(25)23-19(28-13(2)24-23)10-17-16-6-5-14-9-15(26)7-8-21(14,3)20(16)18(27)11-22(17,23)4/h7-9,16-20,27H,5-6,10-11H2,1-4H3/t16-,17-,18-,19+,20+,21-,22-,23+/m0/s1/i11D2,18D

IUPAC

(1S,2S,4R,8S,9S,11S,12S,13R)-8-acetyl-10,10,11-trideuterio-11-hydroxy-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one

Unlabelled CAS Number

13649-88-2

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)