3-Sulfo-taurochenodeoxycholic Acid Disodium Salt
Product Code
TRC-S789285-50MG
CAS Number
Product Format
Neat
Molecular Formula
C26 H43 N Na2 O9 S2
Molecular Weight
623.731
Product Categories
Product Code
TRC-S789285-50MG
CAS Number
Product Format
Neat
Molecular Formula
C26 H43 N Na2 O9 S2
Molecular Weight
623.731
Product Categories
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Analyte Name
3-Sulfo-taurochenodeoxycholic Acid Disodium Salt
CAS Number
66874-06-4
Molecular Formula
C26 H43 N Na2 O9 S2
Molecular Weight
623.731
Accurate Mass
623.217
SMILES
C[C@H](CCC(=O)NCCS(=O)(=O)O[Na])[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[Na]
InChI
InChI=1S/C26H45NO9S2.2Na/c1-16(4-7-23(29)27-12-13-37(30,31)32)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(36-38(33,34)35)14-17(25)15-22(24)28;;/h16-22,24,28H,4-15H2,1-3H3,(H,27,29)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-;;/m1../s1
IUPAC
[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-5-oxo-5-(2-sodiooxysulfonylethylamino)pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysulfonyloxysodium
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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