Androstane-3alpha,17beta-diol 3-Glucuronide-d5

Analyte Name

Androstane-3alpha,17beta-diol 3-Glucuronide-d5

CAS Number

384380-30-7

Molecular Formula

C25 D5 H35 O8

Molecular Weight

473.611

Accurate Mass

473.304

SMILES

[2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[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/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-/m0/s1/i7D2,11D2,13D

IUPAC

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

Unlabelled CAS Number

65535-18-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat