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Product Code
TRC-T008145
CAS Number
Product Format
Neat
Molecular Formula
C26 H45 N O7 S
Molecular Weight
515.7
Product Categories
Product Type
OtherPurity
>95% (HPLC)
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Analyte Name
Taurocholic Acid
CAS Number
81-24-3
Molecular Formula
C26 H45 N O7 S
Molecular Weight
515.7
Accurate Mass
515.29
SMILES
O=S(O)(CCNC(CC[C@@H](C)[C@]1([H])[C@]2(C)[C@](CC1)([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@@H]2O)=O)=O
InChI
InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
IUPAC
2-((R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Purity
>95% (HPLC)
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