6Beta-Hydroxy 21-Acetyloxy Budesonide-d8

Analyte Name

6beta-Hydroxy 21-Acetyloxy Budesonide-d8

Molecular Formula

C27H28D8O8

Molecular Weight

496.62

Accurate Mass

496.29

SMILES

O=C1C=C[C@@]2(C)C([C@H](O)C[C@]3([H])[C@]2([H])[C@@H](O)C[C@@]4(C)[C@@]3([H])C[C@@H](OC(C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])([2H])O5)[C@]45C(COC(C)=O)=O)=C1

InChI

InChI=1S/C27H36O8/c1-5-6-23-34-22-11-17-16-10-19(30)18-9-15(29)7-8-25(18,3)24(16)20(31)12-26(17,4)27(22,35-23)21(32)13-33-14(2)28/h7-9,16-17,19-20,22-24,30-31H,5-6,10-13H2,1-4H3/t16-,17-,19+,20-,22+,23?,24+,25-,26-,27+/m0/s1/i1D3,5D2,6D2,23D

IUPAC

2-((2R,6aR,6bS,7S,8aS,8bS,11aR,12aS,12bS)-2,7-dihydroxy-6a,8a-dimethyl-4-oxo-10-(propyl-d7)-1,2,4,6a,6b,7,8,8a,11a,12,12a,12b-dodecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8b-yl-10-d)-2-oxoethyl acetate

Unlabelled CAS Number

93789-69-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat