Analyte Name

Allo-3alpha-tetrahydro Cortisol-d5 21-O-beta-D-Glucuronide

Molecular Formula

C27 D5 H37 O11

Molecular Weight

547.647

Accurate Mass

547.304

SMILES

[2H]C1([2H])C[C@]2(C)C3[C@@H](O)C[C@@]4(C)[C@@H](CC[C@]4(O)C(=O)CO[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O)[C@@H]3CC[C@H]2C([2H])([2H])[C@]1([2H])O

InChI

InChI=1S/C27H42O11/c1-25-7-5-13(28)9-12(25)3-4-14-15-6-8-27(36,26(15,2)10-16(29)18(14)25)17(30)11-37-24-21(33)19(31)20(32)22(38-24)23(34)35/h12-16,18-22,24,28-29,31-33,36H,3-11H2,1-2H3,(H,34,35)/t12-,13+,14-,15-,16-,18?,19-,20-,21+,22-,24+,25-,26-,27-/m0/s1/i5D2,9D2,13D

IUPAC

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-oxo-2-[(3R,5S,8S,10S,11S,13S,14S,17R)-2,2,3,4,4-pentadeuterio-3,11,17-trihydroxy-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[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