Analyte Name

16alpha-Methyl-d3-9,11-dehydro Prednisolone 21-Acetate

Molecular Formula

C24H27D3O5

Molecular Weight

401.51

Accurate Mass

401.23

SMILES

O=C1C=C[C@@]2(C)C(CC[C@]3([H])C2=CC[C@@]4(C)[C@@]3([H])C[C@@H](C([2H])([2H])[2H])[C@]4(O)C(COC(C)=O)=O)=C1

InChI

InChI=1S/C24H30O5/c1-14-11-20-18-6-5-16-12-17(26)7-9-22(16,3)19(18)8-10-23(20,4)24(14,28)21(27)13-29-15(2)25/h7-9,12,14,18,20,28H,5-6,10-11,13H2,1-4H3/t14-,18-,20+,22+,23+,24+/m1/s1/i1D3

IUPAC

2-((8S,10S,13S,14S,16R,17R)-17-hydroxy-10,13-dimethyl-16-(methyl-d3)-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate

Unlabelled CAS Number

10106-41-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat