Analyte Name

5beta-Androsterone-d5 beta-D-Glucuronide

CAS Number

1620102-35-3

Molecular Formula

C25H33D5O8

Molecular Weight

471.6

Accurate Mass

471.29

SMILES

O=C1[C@@]2(C)CC[C@@]3([H])[C@@]([C@]2([H])CC1)([H])CC[C@]4([H])C([2H])([2H])[C@@](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O5)([2H])C([2H])([2H])C[C@@]43C

InChI

InChI=1S/C25H38O8/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/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13-,14+,15+,16+,18+,19+,20-,21+,23-,24+,25+/m1/s1/i7D2,11D2,13D

IUPAC

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

Unlabelled CAS Number

3602-09-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled

Product Format

Neat