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Lithocholic Acid 24-Ac-O-beta-D-Glucuronide, TRC

Product Code. 30472880
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Product Code. 30472880 Supplier Toronto Research Chemicals Supplier No. TRCL4691950.5MG

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Specifications

Chemical Name or Material Lithocholic Acid 24-Ac-O-beta-D-Glucuronide
CAS 142780-61-8
Molecular Formula C30 H48 O9
Quantity 0.5 mg
Synonym 1-[(3α,5β)-3-Hydroxycholan-24-oate] β-D-Glucopyranuronic Acid
InChI Formula InChI=1S/C30H48O9/c1-15(4-9-22(32)38-28-25(35)23(33)24(34)26(39-28)27(36)37)19-7-8-20-18-6-5-16-14-17(31)10-12-29(16,2)21(18)11-13-30(19,20)3/h15-21,23-26,28,31,33-35H,4-14H2,1-3H3,(H,36,37)/t15-,16-,17-,18+,19-,20+,21+,23+,24+,25-,26+,28-,29+,30-/m1/s1
SMILES C[C@H](CCC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C
IUPAC Name (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxyoxane-2-carboxylic acid
Molecular Weight (g/mol) 552.697
Formula Weight 552.33
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