Analyte Name

6alpha-Methyl-20(R)-hydroxy Prednisolone 21-Acetate-d5

Molecular Formula

C24 D5 H29 O6

Molecular Weight

423.554

Accurate Mass

423.267

SMILES

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

InChI

InChI=1S/C24H34O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19-21,27-29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,20+,21+,22-,23-,24-/m0/s1/i5D,10D,12D2,20D

IUPAC

[(2R)-1,1,2-trideuterio-2-[(6S,8S,9S,10R,11S,13S,14S,17R)-2,4-dideuterio-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl] acetate

Unlabelled CAS Number

93963-74-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat