Nazwa analitu

5Alpha-androstane-3Alpha,17Beta-diol-17-glucuronide-16,16,17-D3 (D3-3Alpha-diol-17G)

Wzór cząsteczkowy

C25H37D3O8

Masa cząsteczkowa

471.61

SMILES

O[C@H]1C[C@@](CC2)([H])[C@@]([C@]3([H])[C@]2([H])[C@@](CC([2H])([2H])[C@]4([2H])O[C@@H]([C@@H]5O)O[C@H](C(O)=O)[C@@H](O)[C@@H]5O)([H])[C@]4(C)CC3)(CC1)C

InChI

InChI=1S/C25H40O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/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/i6D2,17D

IUPAC

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

Typ SIL

Deuterium

Kraj pochodzenia

CANADA

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