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Ursodeoxycholic Acid Methyl Ester-[d5]

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General Information
Catalog: BLP-012141
CAS: 93701-19-0
Molecular Formula: C25H37D5O4
Molecular Weight: 411.63

Chemical Structure

Synonyms	Ursodeoxycholic Acid D5 Methyl Ester
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
Related CAS	10538-55-3 (unlabelled)
Canonical SMILES	CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
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
Boiling Point	507.6±25.0 °C at 760 mmHg
Melting Point	59-62°C
Purity	95% atom D
Density	1.1±0.1 g/cm3
Solubility	Soluble in Acetone, Chloroform, Methanol
Appearance	White Solid
Application	A precursor to manufacture UDCA (Ursodeoxycholic acid)
Storage	Store at -20°C