Tetrahydrocortisol-d4 21-Acetate

Analyte Name

Tetrahydrocortisol-d4 21-Acetate

Molecular Formula

C23H32D4O6

Molecular Weight

412.55

Accurate Mass

412.28

SMILES

C[C@@]12[C@](C(COC(C)=O)=O)(O)CC[C@@]1([H])[C@]3([H])CC[C@]4([H])C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)[C@@]3([H])[C@@H](O)C2

InChI

InChI=1S/C23H36O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h14-18,20,25-26,28H,4-12H2,1-3H3/t14-,15-,16+,17+,18+,20-,21+,22+,23+/m1/s1/i6D2,10D2

IUPAC

2-oxo-2-((3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl-2,2,4,4-d4)ethyl acetate

Unlabelled CAS Number

4004-80-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat