Analyte Name

Hydrocortisone-d4 21-Octanoate

Molecular Formula

C29 D4 H40 O6

Molecular Weight

492.681

Accurate Mass

492.339

SMILES

[2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]4CC[C@](O)(C(=O)COC(=O)CCCCCCC)[C@@]14C

InChI

InChI=1S/C29H44O6/c1-4-5-6-7-8-9-25(33)35-18-24(32)29(34)15-13-22-21-11-10-19-16-20(30)12-14-27(19,2)26(21)23(31)17-28(22,29)3/h16,21-23,26,31,34H,4-15,17-18H2,1-3H3/t21-,22-,23-,26+,27-,28-,29-/m0/s1/i17D2,23D,26D

IUPAC

[2-oxo-2-[(8S,9S,10R,11S,13S,14S,17R)-9,11,12,12-tetradeuterio-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethyl] octanoate

Unlabelled CAS Number

6678-14-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat