Analyte Name

Tetrahydro-11-deoxy Cortisol-d5 3-O-beta-D-Glucuronide

Molecular Formula

C27 D5 H37 O10

Molecular Weight

531.647

Accurate Mass

531.309

SMILES

[2H]C1([2H])C[C@]2(C)C3CC[C@@]4(C)[C@@H](CC[C@]4(O)C(=O)CO)[C@@H]3CC[C@@H]2C([2H])([2H])[C@]1([2H])O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O

InChI

InChI=1S/C27H42O10/c1-25-8-5-14(36-24-21(32)19(30)20(31)22(37-24)23(33)34)11-13(25)3-4-15-16(25)6-9-26(2)17(15)7-10-27(26,35)18(29)12-28/h13-17,19-22,24,28,30-32,35H,3-12H2,1-2H3,(H,33,34)/t13-,14-,15-,16?,17+,19+,20+,21-,22+,24-,25+,26+,27+/m1/s1/i5D2,11D2,14D

IUPAC

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,8R,10S,13S,14S,17R)-2,2,3,4,4-pentadeuterio-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid

Unlabelled CAS Number

56162-40-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat