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Ursodeoxycholic Acid Methyl Ester-d5 , CAS No.93701-19-0
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Basic Description Synonyms Methyl (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7-dihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate | Methyl (3alpha,5beta)-3,7-dihydroxy(2,2,3,4,4-~2~H_5_)cholan-24-oate Storage Temp Store at 2-8°C Shipped In Wet ice Product Description Ursodeoxycholic Acid Methyl Ester-d5 is a precursor to manufacture UDCA (Ursodeoxycholic acid)which is useful in cholesterol gallstone dissolution and fish growth promotion.
Names and Identifiers IUPAC Name methyl (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7-dihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate INCHI InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,23+,24+,25-/m1/s1/i9D2,13D2,17D InChi Key GRQROVWZGGDYSW-IMKCYHQTSA-N Canonical SMILES CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C Isomeric SMILES [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)OC)C)C)([2H])[2H])O PubChem CID 45040672 Molecular Weight 411.63
Chemical and Physical Properties Solubility Soluble in Acetone, Chloroform and Methanol
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