beta-Muricholic Acid Glucuronide Conjugate 2

Product Specifications

Hazard Statement

No Data Available

Smiles

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

Molecular Formula

C30 H48 O11

Molecular Weight

584.696

InChI

InChI=1S/C30H48O11/c1-13(4-7-19(32)33)15-5-6-16-20-17(9-11-29(15,16)2)30(3)10-8-14(31)12-18(30)21(34)25(20)40-28-24(37)22(35)23(36)26(41-28)27(38)39/h13-18,20-26,28,31,34-37H,4-12H2,1-3H3,(H,32,33)(H,38,39)/t13-,14-,15-,16+,17+,18+,20+,21+,22+,23+,24-,25-,26+,28-,29-,30-/m1/s1

Additionnal Information

IUPAC name: (2S,3S,4S,5R,6R)-6-[[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid