5beta-Androstane-3alpha,17beta-diol-d5 3-O-beta-D-Glucuronide

Analyte Name

5beta-Androstane-3alpha,17beta-diol-d5 3-O-beta-D-Glucuronide

Molecular Formula

C25H35D5O8

Molecular Weight

473.61

Accurate Mass

473.3

SMILES

O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@]2([2H])C([2H])([2H])[C@](CC[C@]3([H])[C@]4([H])CC[C@@]5(C)[C@@]3([H])CC[C@@H]5O)([H])[C@]4(C)CC2([2H])[2H])O[C@@H]1C(O)=O

InChI

InChI=1S/C25H40O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,23-,24+,25+/m1/s1/i7D2,11D2,13D

IUPAC

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(((3R,5R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl-2,2,3,4,4-d5)oxy)tetrahydro-2H-pyran-2-carboxylic acid

Alternate CAS Number

isomer: 384380-30-7

Unlabelled CAS Number

114761-91-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat