Analyte Name

6-beta-Hydroxycortisol-d4 21-O-beta-D-Glucuronide

Molecular Formula

C27 D4 H34 O12

Molecular Weight

558.608

Accurate Mass

558.261

SMILES

[2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](C[C@@H](O)C3=CC(=O)CC[C@]23C)[C@@H]4CC[C@](O)(C(=O)CO[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O)[C@@]14C

InChI

InChI=1S/C27H38O12/c1-25-5-3-11(28)7-14(25)15(29)8-12-13-4-6-27(37,26(13,2)9-16(30)18(12)25)17(31)10-38-24-21(34)19(32)20(33)22(39-24)23(35)36/h7,12-13,15-16,18-22,24,29-30,32-34,37H,3-6,8-10H2,1-2H3,(H,35,36)/t12-,13-,15+,16-,18+,19-,20-,21+,22-,24+,25-,26-,27-/m0/s1/i9D2,16D,18D

IUPAC

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-oxo-2-[(6R,8S,9S,10R,11S,13S,14S,17R)-9,11,12,12-tetradeuterio-6,11,17-trihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethoxy]oxane-2-carboxylic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat