beta-Hyodeoxycholic Acid 3-O-beta-D-Glucuronide

Product Specifications

Hazard Statement

No Data Available

Smiles

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

Molecular Formula

C30 H48 O10

Molecular Weight

568.696

InChI

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

Additionnal Information

IUPAC name: (2S,3S,4S,5R,6R)-6-[[(5R,6S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-6-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