Analytenname

Cortisol-D4 21-Beta-D-Glucuronide Sodium Salt

Molekularformel

C27 D4 H33 O11 . Na

Molekulargewicht

564.591

Genaue Masse

564.248

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)CO[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O[Na])[C@@]14C

InChI

InChI=1S/C27H38O11.Na/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;/h9,14-16,18-22,24,29,31-33,36H,3-8,10-11H2,1-2H3,(H,34,35);/q;+1/p-1/t14-,15-,16-,18+,19-,20-,21+,22-,24+,25-,26-,27-;/m0./s1/i10D2,16D,18D;

IUPAC

[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[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]ethoxy]oxane-2-carbonyl]oxysodium

Nicht gekennzeichnete CAS-Nummer

213456-71-4

SIL-Typ

Deuterium

Lagertemperatur

-20°C

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produkttyp

Bioactive small molecule; Stable Isotope Labelled

Produktformat

Neat