Analyte Name

17-O-(Acetyl-d3)-6-methylprednisolone

Molecular Formula

C24H29D3O6

Molecular Weight

419.53

Accurate Mass

419.24

SMILES

O=C(O[C@]1(C(CO)=O)CC[C@@]2([H])[C@]3([H])C[C@H](C)C4=CC(C=C[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C)=O)C([2H])([2H])[2H]

InChI

InChI=1S/C24H32O6/c1-13-9-16-17-6-8-24(20(29)12-25,30-14(2)26)23(17,4)11-19(28)21(16)22(3)7-5-15(27)10-18(13)22/h5,7,10,13,16-17,19,21,25,28H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,21+,22-,23-,24-/m0/s1/i2D3

IUPAC

(6S,8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl acetate-d3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat