Analyte Name

21-O-Acetyl 6alpha-Hydroxy Cortisol-d4

Molecular Formula

C23H28D4O7

Molecular Weight

424.53

Accurate Mass

424.24

SMILES

O=C(COC(C)=O)[C@H]1([OH])[C@@]2(C)C([2H])([2H])[C@@H](O)([2H])[C@@H]3([2H])[C@@]([C@H]2([H])CC1)([H])C[C@H](O)C4=CC(CC[C@@]43C)=O

InChI

InChI=1S/C23H32O7/c1-12(24)30-11-19(28)23(29)7-5-15-14-9-17(26)16-8-13(25)4-6-21(16,2)20(14)18(27)10-22(15,23)3/h8,14-15,17-18,20,26-27,29H,4-7,9-11H2,1-3H3/t14-,15-,17-,18-,20+,21-,22-,23-/m0/s1/i10D2,18D,20D

IUPAC

2-oxo-2-((6S,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl-9,11,12,12-d4)ethyl acetate

Unlabelled CAS Number

67012-81-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat