Analyte Name

Prednisolone 17-(Ethyl Carbonate) 21-Acetate-d3

Molecular Formula

C26 D3 H31 O8

Molecular Weight

477.562

Accurate Mass

477.244

SMILES

[2H]C([2H])([2H])C(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)OC(=O)OCC

InChI

InChI=1S/C26H34O8/c1-5-32-23(31)34-26(21(30)14-33-15(2)27)11-9-19-18-7-6-16-12-17(28)8-10-24(16,3)22(18)20(29)13-25(19,26)4/h8,10,12,18-20,22,29H,5-7,9,11,13-14H2,1-4H3/t18-,19-,20-,22+,24-,25-,26-/m0/s1/i2D3

IUPAC

[2-[(8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2,2-trideuterioacetate

Unlabelled CAS Number

671225-23-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat