Nom de l'analyte

5b-Cholestan-3a,7a,12a,23(R)-25-pentol-3-O-b-Glucuronide Sodium Salt

Formule moléculaire

C33H55NaO11

Poids moléculaire

650.78

SMILES

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

InChI

InChI=1S/C33H56O11.Na/c1-15(10-17(34)14-31(2,3)42)19-6-7-20-24-21(13-23(36)33(19,20)5)32(4)9-8-18(11-16(32)12-22(24)35)43-30-27(39)25(37)26(38)28(44-30)29(40)41;/h15-28,30,34-39,42H,6-14H2,1-5H3,(H,40,41);/q;+1/p-1/t15-,16+,17-,18-,19-,20+,21+,22-,23+,24+,25?,26+,27-,28+,30-,32+,33-;/m1./s1

IUPAC

sodium;(2S,3S,5R,6R)-6-[[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,4R)-4,6-dihydroxy-6-methylheptan-2-yl]-7,12-dihydroxy-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

Pays d'origine

CANADA

Présentation du produit

Neat