Lithocholic Acid-2,2,3,4,4-d5 3-O-Glucuronide
Product Specifications
Synonyms
(3α,5β)-23-Carboxy-24-norcholan-3-yl β-D-Glucopyranosiduronic Acid-d5; Lithocholic Acid 3-Glucuronide-d5;
Hazard Statement
No Data Available
Smiles
C[C@]12[C@]([H])([C@]3([C@@]([H])([C@]4(C)[C@]([H])(CC3)C([2H])([C@]([2H])(O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)C([2H])(C4)[2H])[2H])CC2)[H])CC[C@@]1([C@@H](CCC(O)=O)C)[H]
Molecular Formula
C30H43D5O9
Molecular Weight
557.73
InChI
InChI=1S/C30H48O9/c1-15(4-9-22(31)32)19-7-8-20-18-6-5-16-14-17(10-12-29(16,2)21(18)11-13-30(19,20)3)38-28-25(35)23(33)24(34)26(39-28)27(36)37/h15-21,23-26,28,33-35H,4-14H2,1-3H3,(H,31,32)(H,36,37)/t15-,16-,17-,18+,19-,20+,21+,23+,24+,25-,26+,28-,29+,30-/m1/s1/i10D2,14D2,17D
Additionnal Information
IUPAC name: (2S,3S,4S,5R,6R)-6-(((3R,5R,8R,9S,10S,13R,14S,17R)-17-((R)-4-carboxybutan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl-2,2,3,4,4-d5)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Shipping Conditions
Room Temperature
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