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Tauro-(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic Acid Sodium Salt

Product Specifications

Hazard Statement

No Data Available

Smiles

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

Molecular Formula

C29 H50 N Na O7 S

Molecular Weight

579.765

InChI

InChI=1S/C29H51NO7S.Na/c1-17(6-5-7-18(2)27(34)30-12-13-38(35,36)37)21-8-9-22-26-23(16-25(33)29(21,22)4)28(3)11-10-20(31)14-19(28)15-24(26)32;/h17-26,31-33H,5-16H2,1-4H3,(H,30,34)(H,35,36,37);/q;+1/p-1/t17-,18-,19+,20-,21-,22+,23+,24-,25+,26+,28+,29-;/m1./s1

Additionnal Information

IUPAC name: 2-[[(2R,6R)-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoyl]amino]ethylsulfonyloxysodium