Analytenname

Chenodeoxycholic Acid-3-beta-D-glucuronide

CAS-Nummer

58814-71-4

Molekularformel

C30H48O10

Molekulargewicht

568.7

SMILES

O[C@@H]1C[C@]2([H])C[C@H](O[C@H]3[C@H](O)[C@H](O)[C@H](O)C(C(O)=O)O3)CC[C@]2(C)[C@]4([H])[C@]1([H])[C@@]5([H])[C@]([C@]([C@H](C)CCC(O)=O)([H])CC5)(C)CC4

InChI

InChI=1S/C30H48O10/c1-14(4-7-21(32)33)17-5-6-18-22-19(9-11-30(17,18)3)29(2)10-8-16(12-15(29)13-20(22)31)39-28-25(36)23(34)24(35)26(40-28)27(37)38/h14-20,22-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24+,25-,26+,28?,29+,30-/m1/s1

IUPAC

(2S,3S,4S,5R)-6-[[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-carboxybutan-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-carboxylic acid

Lagertemperatur

+4°C

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produktformat

Neat

Purity

>95% (HPLC)