3-Sulfo-glycoursodeoxycholic Acid Disodium Salt
Product Code
TRC-S789270-100MG
CAS Number
Product Format
Neat
Molecular Formula
C26 H41 N O8 S . 2 Na
Molecular Weight
573.65
Product Categories
Product Information
Product Data
Analyte Name
Glycoursodeoxycholic Acid 3-Sulfate Disodium Salt
CAS Number
71781-63-0
Molecular Formula
C26 H41 N O8 S . 2 Na
Molecular Weight
573.65
Accurate Mass
573.235
SMILES
[Na+].[Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)[O-]
InChI
InChI=1S/C26H43NO8S.2Na/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(35-36(32,33)34)12-16(25)13-21(24)28;;/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34);;/q;2*+1/p-2/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-;;/m1.
IUPAC
disodium;2-[[(4R)-4-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate
Storage & Transport Information
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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