Nazwa analitu

Tauroursodeoxycholic Acid-3-O-beta-glucuronide Dipotassium Salt

Numer CAS

75672-32-1

Wzór cząsteczkowy

C32 H51 K2 N O12 S

Masa cząsteczkowa

752.008

Dokładna masa

751.241

SMILES

C[C@H](CCC(=O)NCCS(=O)(=O)O[K])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]5O[C@@H]([C@@H](O)C(O)[C@H]5O)C(=O)O[K]

InChI

InChI=1S/C32H53NO12S.2K/c1-16(4-7-23(35)33-12-13-46(41,42)43)19-5-6-20-24-21(9-11-32(19,20)3)31(2)10-8-18(14-17(31)15-22(24)34)44-30-27(38)25(36)26(37)28(45-30)29(39)40;;/h16-22,24-28,30,34,36-38H,4-15H2,1-3H3,(H,33,35)(H,39,40)(H,41,42,43);;/q;2*+1/p-2/t16-,17+,18-,19-,20+,21+,22+,24+,25?,26+,27-,28+,30-,31+,32-;;/m1../s1

IUPAC

2-[[(4R)-4-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-[(2R,3R,5S,6S)-3,4,5-trihydroxy-6-potassiooxycarbonyloxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethylsulfonyloxypotassium

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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