Nazwa analitu

Glycochenodeoxycholic Acid-3-O-beta-glucuronide Disodium Salt

Numer CAS

75672-22-9

Wzór cząsteczkowy

C32H49NNa2O11

Masa cząsteczkowa

669.71

Dokładna masa

669.3101

SMILES

O=C(NCC(O[Na])=O)CC[C@@H](C)[C@](CC1)([H])[C@]2(C)[C@]1([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O[Na])=O)O5)CC[C@]4(C)[C@@]3([H])CC2

InChI

InChI=1S/C32H51NO11.2Na/c1-15(4-7-22(35)33-14-23(36)37)18-5-6-19-24-20(9-11-32(18,19)3)31(2)10-8-17(12-16(31)13-21(24)34)43-30-27(40)25(38)26(39)28(44-30)29(41)42;;/h15-21,24-28,30,34,38-40H,4-14H2,1-3H3,(H,33,35)(H,36,37)(H,41,42);;/q;2*+1/p-2/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26+,27-,28+,30-,31+,32-;;/m1../s1

IUPAC

disodium;(2S,3S,4S,5R,6R)-6-[[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-(carboxylatomethylamino)-5-oxopentan-2-yl]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate

Zastępczy numer CAS

Free acid: 79254-98-1

Temperatura przechowywania

-20°C

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

Postać produktu

Neat

Rodzina API

Glycodeoxycholic Acid

Purity

>95% (HPLC)