Nazwa analitu

17beta-Hydroxy-4-androstene-3,11-dione Glucuronide Sodium Salt

Wzór cząsteczkowy

C25 H33 Na O9

Masa cząsteczkowa

500.514

Dokładna masa

500.202

SMILES

C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O[Na]

InChI

InChI=1S/C25H34O9.Na/c1-24-8-7-12(26)9-11(24)3-4-13-14-5-6-16(25(14,2)10-15(27)17(13)24)33-23-20(30)18(28)19(29)21(34-23)22(31)32;/h9,13-14,16-21,23,28-30H,3-8,10H2,1-2H3,(H,31,32);/q;+1/p-1/t13-,14-,16-,17+,18-,19-,20+,21-,23+,24-,25-;/m0./s1

IUPAC

[(2S,3S,4S,5R,6R)-6-[[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3,11-dioxo-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carbonyl]oxysodium

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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