Taurodeoxycholic Acid 3-O-beta-Glucuronide
Product Specifications
Hazard Statement
No Data Available
Smiles
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O
Molecular Formula
C32 H53 N O12 S
Molecular Weight
675.828
InChI
InChI=1S/C32H53NO12S/c1-16(4-9-24(35)33-12-13-46(41,42)43)20-7-8-21-19-6-5-17-14-18(10-11-31(17,2)22(19)15-23(34)32(20,21)3)44-30-27(38)25(36)26(37)28(45-30)29(39)40/h16-23,25-28,30,34,36-38H,4-15H2,1-3H3,(H,33,35)(H,39,40)(H,41,42,43)/t16-,17-,18?,19+,20-,21+,22+,23+,25+,26+,27-,28+,30-,31+,32-/m1/s1
Additionnal Information
IUPAC name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-17-[(2R)-5-oxo-5-(2-sulfoethylamino)pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
Shipping Conditions
Room Temperature
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