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β-Muricholic Acid-[d4]

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General Information
Catalog: BLP-007680
Molecular Formula: C24H36D4O5
Molecular Weight: 412.60

Chemical Structure

Description	β-Muricholic Acid-[d4] is a labelled form of β-Muricholic Acid, a bile acid found in urine.
Synonyms	(4R)-4-[(1S,2R,5R,7R,8S,9R,10S,11S,14R,15R)-5,8,9-trihydroxy-2,15-dimethyl(4,4,6,6-D4)tetracyclo[8.7.0.0,7.0,5]heptadecan-14-yl]pentanoic acid
IUPAC Name	(4R)-4-[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-2,2,4,4-tetradeuterio-3,6,7-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Related CAS	2393-59-1 (unlabelled)
Canonical SMILES	CC(CCC(=O)O)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C
InChI	InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21+,22-,23-,24-/m1/s1/i8D2,12D2
InChI Key	DKPMWHFRUGMUKF-APBBRSFGSA-N
Purity	>98%