Analyte Name

Prednienic Acid-d8

Molecular Formula

C20 D8 H18 O5

Molecular Weight

354.467

Accurate Mass

354.228

SMILES

[2H]C1=C[C@@]2(C)C(=C([2H])C1=O)C([2H])([2H])CC3[C@@H]4CC[C@](O)(C(=O)O)[C@@]4(C)C([2H])([2H])[C@]([2H])(O)[C@]23[2H]

InChI

InChI=1S/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13?,14-,15-,16+,18-,19-,20-/m0/s1/i3D2,5D,9D,10D2,15D,16D

IUPAC

(9S,10R,11S,13S,14S,17R)-2,4,6,6,9,11,12,12-octadeuterio-11,17-dihydroxy-10,13-dimethyl-3-oxo-8,14,15,16-tetrahydro-7H-cyclopenta[a]phenanthrene-17-carboxylic acid

Unlabelled CAS Number

37927-29-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat