[(25R)-3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oyl]taurine Sodium Salt
Product Code
TRC-D452630-25MG
Product Format
Neat
Molecular Formula
C29 H50 N Na O6 S
Molecular Weight
563.765
Product Categories
Product Information
Chemical Data
Analyte Name
[(25R)-3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oyl]taurine Sodium Salt
Molecular Formula
C29 H50 N Na O6 S
Molecular Weight
563.765
Accurate Mass
563.326
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]3CC[C@]12C
InChI
InChI=1S/C29H51NO6S.Na/c1-18(6-5-7-19(2)27(33)30-14-15-37(34,35)36)22-8-9-23-26-24(11-13-29(22,23)4)28(3)12-10-21(31)16-20(28)17-25(26)32;/h18-26,31-32H,5-17H2,1-4H3,(H,30,33)(H,34,35,36);/q;+1/p-1/t18-,19-,20+,21-,22-,23+,24+,25-,26+,28+,29-;/m1./s1
IUPAC
2-[[(2R,6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoyl]amino]ethylsulfonyloxysodium
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat